6-[3-(difluoromethyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]-N-propan-2-ylpyridine-3-sulfonamide

C16H20F2N4O2S — CID 167830671

IUPAC6-[3-(difluoromethyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2C2(C)CC2)nc1
InChIInChI=1S/C16H20F2N4O2S/c1-10(2)21-25(23,24)11-4-5-14(19-9-11)22-13(16(3)6-7-16)8-12(20-22)15(17)18/h4-5,8-10,15,21H,6-7H2,1-3H3
InChIKeyAVHPNYLPLJEEME-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.94
Rot. Bonds6

About 6-[3-(difluoromethyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]-N-propan-2-ylpyridine-3-sulfonamide

6-[3-(difluoromethyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 167830671) has the molecular formula C16H20F2N4O2S and a molecular weight of 370.43 g/mol. Its IUPAC name is 6-[3-(difluoromethyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-(difluoromethyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID167830671
Molecular FormulaC16H20F2N4O2S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC Name6-[3-(difluoromethyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2C2(C)CC2)nc1
InChIInChI=1S/C16H20F2N4O2S/c1-10(2)21-25(23,24)11-4-5-14(19-9-11)22-13(16(3)6-7-16)8-12(20-22)15(17)18/h4-5,8-10,15,21H,6-7H2,1-3H3
InChIKeyAVHPNYLPLJEEME-UHFFFAOYSA-N
XLogP2.94
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-{[2-(4-Methylpiperazin-1-Yl)ethyl]amino}-N-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)pyridine-3-Sulfonamide
CID 46179030
N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 76685194
5-Methanesulfonyl-2-(5-phenyl-3-trifluoromethyl-pyrazol-1-yl)-pyridine
CID 9947370
2-(3-Difluoromethyl-5-phenyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine
CID 9968215
2-[5-(4-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10110609
6-(4-cyano-3-(difluoromethyl)-5-((cis)-3,5-dimethylpiperidin-1-yl)-1H-pyrazol-1-yl)pyridine-3-sulfonamide
CID 10112226
{4-[2-(5-Methanesulfonyl-pyridin-2-yl)-5-trifluoromethyl-2H-pyrazol-3-yl]-phenyl}-dimethyl-amine
CID 10136249
5-(Cyclopentylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 10222558
2-(3-Difluoromethyl-5-p-tolyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine
CID 10270065
2-(5-Cyclohexyl-3-trifluoromethyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine
CID 11349305
2-[3-Difluoromethyl-5-(4-fluoro-phenyl)-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 18624104
5-Methanesulfonyl-2-(4-methyl-5-phenyl-3-trifluoromethyl-pyrazol-1-yl)-pyridine
CID 18624133

Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-[3-(difluoromethyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]-N-propan-2-ylpyridine-3-sulfonamide (CID 167830671) is 6-[3-(difluoromethyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-(difluoromethyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-[3-(difluoromethyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]-N-propan-2-ylpyridine-3-sulfonamide is CC(C)NS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2C2(C)CC2)nc1.
What is the InChIKey of 6-[3-(difluoromethyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is AVHPNYLPLJEEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O2S/c1-10(2)21-25(23,24)11-4-5-14(19-9-11)22-13(16(3)6-7-16)8-12(20-22)15(17)18/h4-5,8-10,15,21H,6-7H2,1-3H3.
What are the key properties of 6-[3-(difluoromethyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]-N-propan-2-ylpyridine-3-sulfonamide?
6-[3-(difluoromethyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 370.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethyl)-5-(1-methylcyclopropyl)pyrazol-1-yl]-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 167830671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).