1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

C16H17N5O3S — CID 155235025

IUPAC1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cccc(S(=O)(=O)n2ccc(C(=O)NCc3cnn(C)c3)n2)c1
InChIInChI=1S/C16H17N5O3S/c1-12-4-3-5-14(8-12)25(23,24)21-7-6-15(19-21)16(22)17-9-13-10-18-20(2)11-13/h3-8,10-11H,9H2,1-2H3,(H,17,22)
InChIKeyWBCCRSBXDNUXHP-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.09
Rot. Bonds5

About 1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 155235025) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is 1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID155235025
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cccc(S(=O)(=O)n2ccc(C(=O)NCc3cnn(C)c3)n2)c1
InChIInChI=1S/C16H17N5O3S/c1-12-4-3-5-14(8-12)25(23,24)21-7-6-15(19-21)16(22)17-9-13-10-18-20(2)11-13/h3-8,10-11H,9H2,1-2H3,(H,17,22)
InChIKeyWBCCRSBXDNUXHP-UHFFFAOYSA-N
XLogP1.09
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
1-ethyl-5-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide
CID 1013698
N-[1-(3,4-dimethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934736
N-[1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 155554240
N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 51347211
N-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934738
N-[1-(4-ethylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935413
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrazole-5-carboxamide
CID 71288561
[4-(2,5-Dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6469168
1-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazole-5-carboxamide
CID 6467947
[4-(3,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6470820
2-methyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]pyrazole-3-carboxamide
CID 92558146

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (CID 155235025) is 1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is Cc1cccc(S(=O)(=O)n2ccc(C(=O)NCc3cnn(C)c3)n2)c1.
What is the InChIKey of 1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is WBCCRSBXDNUXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-12-4-3-5-14(8-12)25(23,24)21-7-6-15(19-21)16(22)17-9-13-10-18-20(2)11-13/h3-8,10-11H,9H2,1-2H3,(H,17,22).
What are the key properties of 1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 155235025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).