N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C14H16ClN3O — CID 55741644

IUPACN-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C14H16ClN3O/c1-9(2)7-12-8-13(18-17-12)14(19)16-11-5-3-10(15)4-6-11/h3-6,8-9H,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeySRMXPRQGIKXRQE-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.51
Rot. Bonds4

About N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 55741644) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID55741644
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C14H16ClN3O/c1-9(2)7-12-8-13(18-17-12)14(19)16-11-5-3-10(15)4-6-11/h3-6,8-9H,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeySRMXPRQGIKXRQE-UHFFFAOYSA-N
XLogP3.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-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-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55910471
N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738892
N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738543
N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741020
N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741814
5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 131931699
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 131939383
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55993544
N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide
CID 78879143
5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide
CID 55993733
N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55909998
N-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 60540872

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 55741644) is N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)Nc2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is SRMXPRQGIKXRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9(2)7-12-8-13(18-17-12)14(19)16-11-5-3-10(15)4-6-11/h3-6,8-9H,7H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55741644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).