1-(2-methylphenyl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide

C16H17N5O3S — CID 155714662

IUPAC1-(2-methylphenyl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1ccccc1S(=O)(=O)n1ccc(C(=O)NCc2ccn(C)n2)n1
InChIInChI=1S/C16H17N5O3S/c1-12-5-3-4-6-15(12)25(23,24)21-10-8-14(19-21)16(22)17-11-13-7-9-20(2)18-13/h3-10H,11H2,1-2H3,(H,17,22)
InChIKeyGBJKTCXOPNATQS-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.09
Rot. Bonds5

About 1-(2-methylphenyl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide

1-(2-methylphenyl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 155714662) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is 1-(2-methylphenyl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID155714662
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name1-(2-methylphenyl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1ccccc1S(=O)(=O)n1ccc(C(=O)NCc2ccn(C)n2)n1
InChIInChI=1S/C16H17N5O3S/c1-12-5-3-4-6-15(12)25(23,24)21-10-8-14(19-21)16(22)17-11-13-7-9-20(2)18-13/h3-10H,11H2,1-2H3,(H,17,22)
InChIKeyGBJKTCXOPNATQS-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

1-(4-methoxy-2-methylphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
CID 155244387
2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329144
3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584
6-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridazine-3-carboxamide
CID 82875427
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
phenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate
CID 82874679
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484
5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882259
1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 155235025
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide
CID 82873476
N-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide
CID 122159302

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-methylphenyl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (CID 155714662) is 1-(2-methylphenyl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is Cc1ccccc1S(=O)(=O)n1ccc(C(=O)NCc2ccn(C)n2)n1.
What is the InChIKey of 1-(2-methylphenyl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is GBJKTCXOPNATQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-12-5-3-4-6-15(12)25(23,24)21-10-8-14(19-21)16(22)17-11-13-7-9-20(2)18-13/h3-10H,11H2,1-2H3,(H,17,22).
What are the key properties of 1-(2-methylphenyl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
1-(2-methylphenyl)sulfonyl-N-[(1-methylpyrazol-3-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-(2-methylphenyl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 155714662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).