3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

C11H16N4O5S — CID 64527275

IUPAC3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCS(=O)(=O)N1CCCCC1C(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H16N4O5S/c1-21(19,20)15-5-3-2-4-8(15)10(16)12-9-6-7(11(17)18)13-14-9/h6,8H,2-5H2,1H3,(H,17,18)(H2,12,13,14,16)
InChIKeyIBSUQEZZKOQDBU-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.14
Rot. Bonds4

About 3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64527275) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is 3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64527275
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC Name3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCS(=O)(=O)N1CCCCC1C(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C11H16N4O5S/c1-21(19,20)15-5-3-2-4-8(15)10(16)12-9-6-7(11(17)18)13-14-9/h6,8H,2-5H2,1H3,(H,17,18)(H2,12,13,14,16)
InChIKeyIBSUQEZZKOQDBU-UHFFFAOYSA-N
XLogP-0.14
TPSA132.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide
CID 60571418
N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 56801215
3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526678
3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 104855741
(2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 31407732
(2S)-N-(3,5-dimethylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 40853891
(2R)-N-cyclohexyl-1-methylsulfonylpiperidine-2-carboxamide
CID 31407568
N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55784405
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55564355
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide
CID 56552352
3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid
CID 64527301
(2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 99805629

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (CID 64527275) is 3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is CS(=O)(=O)N1CCCCC1C(=O)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is IBSUQEZZKOQDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c1-21(19,20)15-5-3-2-4-8(15)10(16)12-9-6-7(11(17)18)13-14-9/h6,8H,2-5H2,1H3,(H,17,18)(H2,12,13,14,16).
What are the key properties of 3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 316.34 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64527275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).