1-(2,2-difluorocyclopropyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]pyrazole-3-sulfonamide

C17H16F2N4O3S — CID 166317115

IUPAC1-(2,2-difluorocyclopropyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]pyrazole-3-sulfonamide
SMILESCc1c(CNS(=O)(=O)c2ccn(C3CC3(F)F)n2)noc1-c1ccccc1
InChIInChI=1S/C17H16F2N4O3S/c1-11-13(22-26-16(11)12-5-3-2-4-6-12)10-20-27(24,25)15-7-8-23(21-15)14-9-17(14,18)19/h2-8,14,20H,9-10H2,1H3
InChIKeyRGKRPKOVWLRAAK-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.91
Rot. Bonds6

About 1-(2,2-difluorocyclopropyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]pyrazole-3-sulfonamide

1-(2,2-difluorocyclopropyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]pyrazole-3-sulfonamide (PubChem CID 166317115) has the molecular formula C17H16F2N4O3S and a molecular weight of 394.40 g/mol. Its IUPAC name is 1-(2,2-difluorocyclopropyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-(2,2-difluorocyclopropyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]pyrazole-3-sulfonamide
PubChem CID166317115
Molecular FormulaC17H16F2N4O3S
Molecular Weight394.40 g/mol
Exact Mass394.09
IUPAC Name1-(2,2-difluorocyclopropyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]pyrazole-3-sulfonamide
SMILESCc1c(CNS(=O)(=O)c2ccn(C3CC3(F)F)n2)noc1-c1ccccc1
InChIInChI=1S/C17H16F2N4O3S/c1-11-13(22-26-16(11)12-5-3-2-4-6-12)10-20-27(24,25)15-7-8-23(21-15)14-9-17(14,18)19/h2-8,14,20H,9-10H2,1H3
InChIKeyRGKRPKOVWLRAAK-UHFFFAOYSA-N
XLogP2.91
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,2-difluorocyclopropyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]pyrazole-3-sulfonamide with MolForge

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Related Compounds

5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide
CID 2738186
3-[1-(1-Ethyl-5-methylpyrazol-4-yl)sulfonylazepan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole
CID 46955584
5-(5-isoxazolyl)-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzenesulfonamide hydrochloride
CID 70730287
N-[2-(1,2-benzoxazol-3-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-sulfonamide
CID 126822357
3-[2-[1-Methyl-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrazol-4-yl]ethynyl]benzenesulfonamide
CID 56642742
4-[2-[1-Methyl-5-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrazol-4-yl]ethynyl]benzenesulfonamide
CID 89558726
3-(Pyrazol-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 141098461
2-[1-[(3-Fluorophenyl)methyl]pyrazol-4-yl]-1-[5-(1,2-thiazol-5-yl)-1,2-oxazol-3-yl]ethanone
CID 157113351
3,5-dimethyl-N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide
CID 25578412
3,5-dimethyl-N-[(1S)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide
CID 25578418
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-[(5-phenyl-3-isoxazolyl)methyl]methanamine
CID 29105766
3,5-dimethyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide
CID 42949989

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocyclopropyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]pyrazole-3-sulfonamide?
The IUPAC name of 1-(2,2-difluorocyclopropyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]pyrazole-3-sulfonamide (CID 166317115) is 1-(2,2-difluorocyclopropyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 1-(2,2-difluorocyclopropyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]pyrazole-3-sulfonamide?
The canonical SMILES for 1-(2,2-difluorocyclopropyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]pyrazole-3-sulfonamide is Cc1c(CNS(=O)(=O)c2ccn(C3CC3(F)F)n2)noc1-c1ccccc1.
What is the InChIKey of 1-(2,2-difluorocyclopropyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]pyrazole-3-sulfonamide?
The InChIKey is RGKRPKOVWLRAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O3S/c1-11-13(22-26-16(11)12-5-3-2-4-6-12)10-20-27(24,25)15-7-8-23(21-15)14-9-17(14,18)19/h2-8,14,20H,9-10H2,1H3.
What are the key properties of 1-(2,2-difluorocyclopropyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]pyrazole-3-sulfonamide?
1-(2,2-difluorocyclopropyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]pyrazole-3-sulfonamide has a molecular weight of 394.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclopropyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 166317115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).