N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide

C15H16F2N4OS — CID 8891326

IUPACN-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
SMILESC[C@H](C1CC1)n1nccc1NC(=O)c1cccnc1SC(F)F
InChIInChI=1S/C15H16F2N4OS/c1-9(10-4-5-10)21-12(6-8-19-21)20-13(22)11-3-2-7-18-14(11)23-15(16)17/h2-3,6-10,15H,4-5H2,1H3,(H,20,22)/t9-/m1/s1
InChIKeyVADHGTGCKYAUCC-SECBINFHSA-N
MW338.38 g/mol
LogP3.82
Rot. Bonds6

About N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide

N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide (PubChem CID 8891326) has the molecular formula C15H16F2N4OS and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
PubChem CID8891326
Molecular FormulaC15H16F2N4OS
Molecular Weight338.38 g/mol
Exact Mass338.10
IUPAC NameN-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
SMILESC[C@H](C1CC1)n1nccc1NC(=O)c1cccnc1SC(F)F
InChIInChI=1S/C15H16F2N4OS/c1-9(10-4-5-10)21-12(6-8-19-21)20-13(22)11-3-2-7-18-14(11)23-15(16)17/h2-3,6-10,15H,4-5H2,1H3,(H,20,22)/t9-/m1/s1
InChIKeyVADHGTGCKYAUCC-SECBINFHSA-N
XLogP3.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 55475285
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide
CID 18775613
2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 134013198
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide
CID 60594497
2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18128699
2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 154774275
(2-oxo-2-propan-2-yloxyethyl) 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 55479792
2-(difluoromethylsulfanyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
CID 24647229
N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78804077
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide
CID 8016935
methyl 4-cyclopentyl-2-[[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 75456655
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119269137

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide (CID 8891326) is N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide is C[C@H](C1CC1)n1nccc1NC(=O)c1cccnc1SC(F)F.
What is the InChIKey of N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is VADHGTGCKYAUCC-SECBINFHSA-N. The full InChI is InChI=1S/C15H16F2N4OS/c1-9(10-4-5-10)21-12(6-8-19-21)20-13(22)11-3-2-7-18-14(11)23-15(16)17/h2-3,6-10,15H,4-5H2,1H3,(H,20,22)/t9-/m1/s1.
What are the key properties of N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 8891326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).