N-[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanesulfonamide

C10H16N4O3S — CID 54876861

IUPACN-[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C10H16N4O3S/c1-18(16,17)13-9-3-2-4-14(7-9)10(15)8-5-11-12-6-8/h5-6,9,13H,2-4,7H2,1H3,(H,11,12)
InChIKeyPKNQNFZESWTBQB-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.44
Rot. Bonds3

About N-[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanesulfonamide

N-[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanesulfonamide (PubChem CID 54876861) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanesulfonamide
PubChem CID54876861
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC NameN-[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C10H16N4O3S/c1-18(16,17)13-9-3-2-4-14(7-9)10(15)8-5-11-12-6-8/h5-6,9,13H,2-4,7H2,1H3,(H,11,12)
InChIKeyPKNQNFZESWTBQB-UHFFFAOYSA-N
XLogP-0.44
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 53566932
1-Methanesulfonyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-YL]piperidine
CID 91910294
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617
[(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 164631489
(4-cyclopropylpiperazin-1-yl)(1H-pyrazol-4-yl)methanone
CID 60959056
N-(2,2-difluoroethyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 167821961
N-cyclohexyl-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 137975340
1-(1H-pyrazole-4-carbonyl)piperazine
CID 43565571
N-piperidin-4-yl-1H-pyrazole-4-carboxamide
CID 43565669
(4-methylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43582311
N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 43582663

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanesulfonamide (CID 54876861) is N-[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(C(=O)c2cn[nH]c2)C1.
What is the InChIKey of N-[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is PKNQNFZESWTBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-18(16,17)13-9-3-2-4-14(7-9)10(15)8-5-11-12-6-8/h5-6,9,13H,2-4,7H2,1H3,(H,11,12).
What are the key properties of N-[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanesulfonamide?
N-[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 272.33 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 54876861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).