5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide

C13H20F2N4O3S — CID 125179595

IUPAC5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide
SMILESCS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C13H20F2N4O3S/c1-23(21,22)19-7-3-2-4-9(19)5-6-16-13(20)11-8-10(12(14)15)17-18-11/h8-9,12H,2-7H2,1H3,(H,16,20)(H,17,18)/t9-/m1/s1
InChIKeyYELMEOGTZNJELN-SECBINFHSA-N
MW350.39 g/mol
LogP1.28
Rot. Bonds6

About 5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide

5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 125179595) has the molecular formula C13H20F2N4O3S and a molecular weight of 350.39 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide
PubChem CID125179595
Molecular FormulaC13H20F2N4O3S
Molecular Weight350.39 g/mol
Exact Mass350.12
IUPAC Name5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide
SMILESCS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C13H20F2N4O3S/c1-23(21,22)19-7-3-2-4-9(19)5-6-16-13(20)11-8-10(12(14)15)17-18-11/h8-9,12H,2-7H2,1H3,(H,16,20)(H,17,18)/t9-/m1/s1
InChIKeyYELMEOGTZNJELN-SECBINFHSA-N
XLogP1.28
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide
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5-acetyl-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]thiophene-3-carboxamide
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CID 118786414
N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide
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2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide
CID 118785685
5-(difluoromethyl)-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 165425531
2-(1-methylsulfonylpiperidin-2-yl)ethanol
CID 60956631
tert-butyl (3R)-3-[[[5-(difluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 155957953
[5-(difluoromethyl)-1H-pyrazol-3-yl]-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide (CID 125179595) is 5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide is CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)c1cc(C(F)F)[nH]n1.
What is the InChIKey of 5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is YELMEOGTZNJELN-SECBINFHSA-N. The full InChI is InChI=1S/C13H20F2N4O3S/c1-23(21,22)19-7-3-2-4-9(19)5-6-16-13(20)11-8-10(12(14)15)17-18-11/h8-9,12H,2-7H2,1H3,(H,16,20)(H,17,18)/t9-/m1/s1.
What are the key properties of 5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide?
5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 350.39 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 125179595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).