1-butyl-5-chloro-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide

C17H23ClN4O3S — CID 9479377

IUPAC1-butyl-5-chloro-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide
SMILESCCCCn1nc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)c1Cl
InChIInChI=1S/C17H23ClN4O3S/c1-5-6-9-22-16(18)15(12(3)21-22)17(23)20-13-8-7-11(2)14(10-13)26(24,25)19-4/h7-8,10,19H,5-6,9H2,1-4H3,(H,20,23)
InChIKeyYLNUSFTYHSKGMT-UHFFFAOYSA-N
MW398.92 g/mol
LogP3.11
Rot. Bonds7

About 1-butyl-5-chloro-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide

1-butyl-5-chloro-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide (PubChem CID 9479377) has the molecular formula C17H23ClN4O3S and a molecular weight of 398.92 g/mol. Its IUPAC name is 1-butyl-5-chloro-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-butyl-5-chloro-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide
PubChem CID9479377
Molecular FormulaC17H23ClN4O3S
Molecular Weight398.92 g/mol
Exact Mass398.12
IUPAC Name1-butyl-5-chloro-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide
SMILESCCCCn1nc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)c1Cl
InChIInChI=1S/C17H23ClN4O3S/c1-5-6-9-22-16(18)15(12(3)21-22)17(23)20-13-8-7-11(2)14(10-13)26(24,25)19-4/h7-8,10,19H,5-6,9H2,1-4H3,(H,20,23)
InChIKeyYLNUSFTYHSKGMT-UHFFFAOYSA-N
XLogP3.11
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 53.11
H-Bond Donors ≤ 52
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-3-methyl-N-(3-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 9071947
1-butyl-5-chloro-N-(3-ethynylphenyl)-3-methylpyrazole-4-carboxamide
CID 24632299
N-(3-benzyl-4-methoxyphenyl)-1-butyl-5-chloro-3-methylpyrazole-4-carboxamide
CID 24571197
3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 9479423
5-chloro-N-(3-chloro-4-methylphenyl)-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 26087171
1-butyl-5-chloro-N-(2,2-diphenylpropyl)-3-methylpyrazole-4-carboxamide
CID 24517487
1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 9209718
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190078
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 7978642
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 8987070
2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 9107157

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-chloro-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-butyl-5-chloro-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide (CID 9479377) is 1-butyl-5-chloro-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-butyl-5-chloro-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-butyl-5-chloro-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide is CCCCn1nc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)c1Cl.
What is the InChIKey of 1-butyl-5-chloro-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is YLNUSFTYHSKGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O3S/c1-5-6-9-22-16(18)15(12(3)21-22)17(23)20-13-8-7-11(2)14(10-13)26(24,25)19-4/h7-8,10,19H,5-6,9H2,1-4H3,(H,20,23).
What are the key properties of 1-butyl-5-chloro-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide?
1-butyl-5-chloro-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 398.92 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-chloro-3-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 9479377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).