1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide

C16H20ClN3O — CID 9038891

IUPAC1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCCCCn1nc(C)c(C(=O)Nc2cccc(C)c2)c1Cl
InChIInChI=1S/C16H20ClN3O/c1-4-5-9-20-15(17)14(12(3)19-20)16(21)18-13-8-6-7-11(2)10-13/h6-8,10H,4-5,9H2,1-3H3,(H,18,21)
InChIKeyRPUWWEUQQHQWBQ-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.21
Rot. Bonds5

About 1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide

1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide (PubChem CID 9038891) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide
PubChem CID9038891
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCCCCn1nc(C)c(C(=O)Nc2cccc(C)c2)c1Cl
InChIInChI=1S/C16H20ClN3O/c1-4-5-9-20-15(17)14(12(3)19-20)16(21)18-13-8-6-7-11(2)10-13/h6-8,10H,4-5,9H2,1-3H3,(H,18,21)
InChIKeyRPUWWEUQQHQWBQ-UHFFFAOYSA-N
XLogP4.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-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

1-butyl-5-chloro-3-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 9071947
1-butyl-5-chloro-N-(3-ethynylphenyl)-3-methylpyrazole-4-carboxamide
CID 24632299
1-butyl-5-chloro-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 9479377
N-(3-benzyl-4-methoxyphenyl)-1-butyl-5-chloro-3-methylpyrazole-4-carboxamide
CID 24571197
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide
CID 21369352
1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 9209718
1-benzyl-5-chloro-N-(3-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 9042502
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)pyrazole-4-carboxamide
CID 29201762
1-butyl-5-chloro-N-(2,2-diphenylpropyl)-3-methylpyrazole-4-carboxamide
CID 24517487
5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide
CID 122171449
N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 47137762

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide (CID 9038891) is 1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide is CCCCn1nc(C)c(C(=O)Nc2cccc(C)c2)c1Cl.
What is the InChIKey of 1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is RPUWWEUQQHQWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-5-9-20-15(17)14(12(3)19-20)16(21)18-13-8-6-7-11(2)10-13/h6-8,10H,4-5,9H2,1-3H3,(H,18,21).
What are the key properties of 1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide?
1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 305.81 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 9038891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).