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

C16H20ClN3O3S — CID 9071947

IUPAC1-butyl-5-chloro-3-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCCCCn1nc(C)c(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1Cl
InChIInChI=1S/C16H20ClN3O3S/c1-4-5-9-20-15(17)14(11(2)19-20)16(21)18-12-7-6-8-13(10-12)24(3,22)23/h6-8,10H,4-5,9H2,1-3H3,(H,18,21)
InChIKeyHZKUTBYOAAHPNS-UHFFFAOYSA-N
MW369.87 g/mol
LogP3.30
Rot. Bonds6

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

1-butyl-5-chloro-3-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide (PubChem CID 9071947) has the molecular formula C16H20ClN3O3S and a molecular weight of 369.87 g/mol. Its IUPAC name is 1-butyl-5-chloro-3-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-butyl-5-chloro-3-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide
PubChem CID9071947
Molecular FormulaC16H20ClN3O3S
Molecular Weight369.87 g/mol
Exact Mass369.09
IUPAC Name1-butyl-5-chloro-3-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCCCCn1nc(C)c(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1Cl
InChIInChI=1S/C16H20ClN3O3S/c1-4-5-9-20-15(17)14(11(2)19-20)16(21)18-12-7-6-8-13(10-12)24(3,22)23/h6-8,10H,4-5,9H2,1-3H3,(H,18,21)
InChIKeyHZKUTBYOAAHPNS-UHFFFAOYSA-N
XLogP3.30
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide
CID 9038891
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
N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide
CID 47338227
1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 34194090
1-benzyl-5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylpyrazole-4-carboxamide
CID 26249061
1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 9209718
5-chloro-3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 60605483
5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26249075
5-chloro-4,6-dimethyl-N-(3-methylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 151082126
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride
CID 119465978

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-chloro-3-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-butyl-5-chloro-3-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide (CID 9071947) is 1-butyl-5-chloro-3-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-butyl-5-chloro-3-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-butyl-5-chloro-3-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide is CCCCn1nc(C)c(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1Cl.
What is the InChIKey of 1-butyl-5-chloro-3-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide?
The InChIKey is HZKUTBYOAAHPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3S/c1-4-5-9-20-15(17)14(11(2)19-20)16(21)18-12-7-6-8-13(10-12)24(3,22)23/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-methylsulfonylphenyl)pyrazole-4-carboxamide?
1-butyl-5-chloro-3-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide has a molecular weight of 369.87 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-chloro-3-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 9071947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).