N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C19H17FN4O3 — CID 87019112

IUPACN-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)ccc1NC(C)=O
InChIInChI=1S/C19H17FN4O3/c1-11(25)21-15-8-7-14(9-18(15)27-2)22-19(26)17-10-16(23-24-17)12-3-5-13(20)6-4-12/h3-10H,1-2H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyHDOCGJIZQILNBQ-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.44
Rot. Bonds5

About N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 87019112) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID87019112
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC NameN-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)ccc1NC(C)=O
InChIInChI=1S/C19H17FN4O3/c1-11(25)21-15-8-7-14(9-18(15)27-2)22-19(26)17-10-16(23-24-17)12-3-5-13(20)6-4-12/h3-10H,1-2H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyHDOCGJIZQILNBQ-UHFFFAOYSA-N
XLogP3.44
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030480
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054
3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19514461
N-(4-acetamido-3-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 87001763
N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508924
N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide
CID 174832575
3-amino-N-(4-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 64525066
N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030497
3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 45030519
N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030503
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 26069017

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 87019112) is N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is COc1cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)ccc1NC(C)=O.
What is the InChIKey of N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is HDOCGJIZQILNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-11(25)21-15-8-7-14(9-18(15)27-2)22-19(26)17-10-16(23-24-17)12-3-5-13(20)6-4-12/h3-10H,1-2H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 87019112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).