5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid

C17H20N4O5S — CID 125152722

IUPAC5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
SMILESCS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(C(=O)O)nn2-c2ccccc2)C1
InChIInChI=1S/C17H20N4O5S/c1-27(25,26)19-12-6-5-9-20(11-12)16(22)15-10-14(17(23)24)18-21(15)13-7-3-2-4-8-13/h2-4,7-8,10,12,19H,5-6,9,11H2,1H3,(H,23,24)/t12-/m0/s1
InChIKeyQAWPMXAHUVCABM-LBPRGKRZSA-N
MW392.44 g/mol
LogP0.72
Rot. Bonds5

About 5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid

5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid (PubChem CID 125152722) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is 5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
PubChem CID125152722
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC Name5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
SMILESCS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(C(=O)O)nn2-c2ccccc2)C1
InChIInChI=1S/C17H20N4O5S/c1-27(25,26)19-12-6-5-9-20(11-12)16(22)15-10-14(17(23)24)18-21(15)13-7-3-2-4-8-13/h2-4,7-8,10,12,19H,5-6,9,11H2,1H3,(H,23,24)/t12-/m0/s1
InChIKeyQAWPMXAHUVCABM-LBPRGKRZSA-N
XLogP0.72
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3R)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
CID 125152721
5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid
CID 119181333
3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid
CID 126773299
N-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079181
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487594
N-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methanesulfonamide
CID 113226212
N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81227485
N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079183
N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide
CID 103907786
N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide
CID 60945770
5-(4-methylidenepiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid
CID 167976779
3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 119379377

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid (CID 125152722) is 5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid is CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(C(=O)O)nn2-c2ccccc2)C1.
What is the InChIKey of 5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid?
The InChIKey is QAWPMXAHUVCABM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-27(25,26)19-12-6-5-9-20(11-12)16(22)15-10-14(17(23)24)18-21(15)13-7-3-2-4-8-13/h2-4,7-8,10,12,19H,5-6,9,11H2,1H3,(H,23,24)/t12-/m0/s1.
What are the key properties of 5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid?
5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid has a molecular weight of 392.44 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 125152722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).