N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide

C10H16N4O3S — CID 43629004

IUPACN-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C10H16N4O3S/c1-18(16,17)14-4-2-9(3-5-14)13-10(15)8-6-11-12-7-8/h6-7,9H,2-5H2,1H3,(H,11,12)(H,13,15)
InChIKeySMUUPNROXHYZLX-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.44
Rot. Bonds3

About N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide

N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide (PubChem CID 43629004) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
PubChem CID43629004
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC NameN-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C10H16N4O3S/c1-18(16,17)14-4-2-9(3-5-14)13-10(15)8-6-11-12-7-8/h6-7,9H,2-5H2,1H3,(H,11,12)(H,13,15)
InChIKeySMUUPNROXHYZLX-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

1-Methanesulfonyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-YL]piperidine
CID 91910294
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
1-{3-[(1H-pyrazol-4-ylcarbonyl)amino]propyl}piperidine-4-carboxamide
CID 91834090
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43603369
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 138992293
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
N-cyclohexyl-1H-pyrazole-4-carboxamide
CID 43532859
N-piperidin-4-yl-1H-pyrazole-4-carboxamide
CID 43565669
N-(3-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
CID 43582856
(4-propan-2-ylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43585587

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide (CID 43629004) is N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide is CS(=O)(=O)N1CCC(NC(=O)c2cn[nH]c2)CC1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is SMUUPNROXHYZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-18(16,17)14-4-2-9(3-5-14)13-10(15)8-6-11-12-7-8/h6-7,9H,2-5H2,1H3,(H,11,12)(H,13,15).
What are the key properties of N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide 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-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43629004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).