1-methylsulfonyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

C14H18N6O3S — CID 71805347

IUPAC1-methylsulfonyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C14H18N6O3S/c1-24(22,23)19-7-3-11(4-8-19)14(21)18-12-9-13(16-10-15-12)20-6-2-5-17-20/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,15,16,18,21)
InChIKeyDESPMDBJCVSSBL-UHFFFAOYSA-N
MW350.40 g/mol
LogP0.27
Rot. Bonds4

About 1-methylsulfonyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

1-methylsulfonyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 71805347) has the molecular formula C14H18N6O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID71805347
Molecular FormulaC14H18N6O3S
Molecular Weight350.40 g/mol
Exact Mass350.12
IUPAC Name1-methylsulfonyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C14H18N6O3S/c1-24(22,23)19-7-3-11(4-8-19)14(21)18-12-9-13(16-10-15-12)20-6-2-5-17-20/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,15,16,18,21)
InChIKeyDESPMDBJCVSSBL-UHFFFAOYSA-N
XLogP0.27
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-(1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 76148277
N-(2-methylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
CID 134798422
N-(1-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 42952887
(1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)piperidin-3-yl)(4-(methylsulfonyl)piperazin-1-yl)methanone
CID 56724677
N-(1-{1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl}-1H-pyrazol-5-yl)-3-methylbutanamide
CID 56739969
N-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71805431
3-methyl-N-[2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 126460215
1-[2-(1-Ethylpiperidin-4-yl)ethyl]-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea
CID 69915021
N-(1-methyl-1H-pyrazol-3-yl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 19581952
1-methylsulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 29368795
1-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide
CID 30187287
(3R)-N-(1-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 40027108

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (CID 71805347) is 1-methylsulfonyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2cc(-n3cccn3)ncn2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is DESPMDBJCVSSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3S/c1-24(22,23)19-7-3-11(4-8-19)14(21)18-12-9-13(16-10-15-12)20-6-2-5-17-20/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,15,16,18,21).
What are the key properties of 1-methylsulfonyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 71805347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).