N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C15H18ClN3O — CID 55741814

IUPACN-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(CC(C)C)[nH]n1
InChIInChI=1S/C15H18ClN3O/c1-9(2)7-11-8-14(19-18-11)15(20)17-13-6-4-5-12(16)10(13)3/h4-6,8-9H,7H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyKQIQEJHJJXBSNN-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.82
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 55741814) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID55741814
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(CC(C)C)[nH]n1
InChIInChI=1S/C15H18ClN3O/c1-9(2)7-11-8-14(19-18-11)15(20)17-13-6-4-5-12(16)10(13)3/h4-6,8-9H,7H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyKQIQEJHJJXBSNN-UHFFFAOYSA-N
XLogP3.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738543
N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 17253336
5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide
CID 55787212
N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508080
N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 40654834
N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide
CID 78879143
N-[2-(3-chlorophenoxy)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55743110
N-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087379
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
N-(3-chloro-2-methylphenyl)-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360491
6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 54927236
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 55741814) is N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(CC(C)C)[nH]n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is KQIQEJHJJXBSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-9(2)7-11-8-14(19-18-11)15(20)17-13-6-4-5-12(16)10(13)3/h4-6,8-9H,7H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55741814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).