N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide
TL;DR: N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide (CAS 402600-75-3) is a chemical compound with molecular formula C15H18N4O and molecular weight 270.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide
Also Known As: BAS 00334862, N'-benzylidene-3-tert-butyl-1H-pyrazole-5-carbohydrazide, N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide
| Molecular Formula | C15H18N4O |
|---|---|
| Molecular Weight | 270.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.14807 |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 402600-75-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NN1)C(=O)NN=CC2=CC=CC=C2 |
| InChIKey | YKNCHILAMPMLRP-UHFFFAOYSA-N |
Product Overview
N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide (CAS 402600-75-3), with molecular formula C15H18N4O and molecular weight 270.15 g/mol. IUPAC: N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide.
Chemical Property Profile of N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide
Property Insights of N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide
The XLogP value of 3.2 indicates that N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide?
The CAS number of N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide is 402600-75-3.
What is the molecular formula of N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide?
The molecular formula of N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide is C15H18N4O.
What is the molecular weight of N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide?
The molecular weight of N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide is 270.15 g/mol.
Where can I buy N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide?
You can request a quote for N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(benzylideneamino)-5-tert-butyl-1H-pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.