5-methyl-1-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-3-carboxamide

C23H26N4O3S — CID 55756785

IUPAC5-methyl-1-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)nn1-c1ccccc1
InChIInChI=1S/C23H26N4O3S/c1-18-16-22(25-27(18)20-8-4-2-5-9-20)23(28)24-17-19-10-12-21(13-11-19)31(29,30)26-14-6-3-7-15-26/h2,4-5,8-13,16H,3,6-7,14-15,17H2,1H3,(H,24,28)
InChIKeyCDOILFQPDAXPKG-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.29
Rot. Bonds6

About 5-methyl-1-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-3-carboxamide

5-methyl-1-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 55756785) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID55756785
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name5-methyl-1-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)nn1-c1ccccc1
InChIInChI=1S/C23H26N4O3S/c1-18-16-22(25-27(18)20-8-4-2-5-9-20)23(28)24-17-19-10-12-21(13-11-19)31(29,30)26-14-6-3-7-15-26/h2,4-5,8-13,16H,3,6-7,14-15,17H2,1H3,(H,24,28)
InChIKeyCDOILFQPDAXPKG-UHFFFAOYSA-N
XLogP3.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 60511850
4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide
CID 46974547
4-(5-methylpyrazol-1-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 18209836
5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide
CID 55780170
5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 55382516
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide
CID 17457202
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide
CID 55737335
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide
CID 51197502
5-chloro-1,3-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide
CID 46593410

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-3-carboxamide (CID 55756785) is 5-methyl-1-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is CDOILFQPDAXPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-18-16-22(25-27(18)20-8-4-2-5-9-20)23(28)24-17-19-10-12-21(13-11-19)31(29,30)26-14-6-3-7-15-26/h2,4-5,8-13,16H,3,6-7,14-15,17H2,1H3,(H,24,28).
What are the key properties of 5-methyl-1-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-3-carboxamide?
5-methyl-1-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55756785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).