2-cyclobutyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazole-3-sulfonamide

C12H14F3N5O2S — CID 138052554

IUPAC2-cyclobutyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazole-3-sulfonamide
SMILESCc1c(NS(=O)(=O)c2ccnn2C2CCC2)n[nH]c1C(F)(F)F
InChIInChI=1S/C12H14F3N5O2S/c1-7-10(12(13,14)15)17-18-11(7)19-23(21,22)9-5-6-16-20(9)8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H2,17,18,19)
InChIKeyHZFLTEHIBBXZTO-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.46
Rot. Bonds4

About 2-cyclobutyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazole-3-sulfonamide

2-cyclobutyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazole-3-sulfonamide (PubChem CID 138052554) has the molecular formula C12H14F3N5O2S and a molecular weight of 349.34 g/mol. Its IUPAC name is 2-cyclobutyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazole-3-sulfonamide
PubChem CID138052554
Molecular FormulaC12H14F3N5O2S
Molecular Weight349.34 g/mol
Exact Mass349.08
IUPAC Name2-cyclobutyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazole-3-sulfonamide
SMILESCc1c(NS(=O)(=O)c2ccnn2C2CCC2)n[nH]c1C(F)(F)F
InChIInChI=1S/C12H14F3N5O2S/c1-7-10(12(13,14)15)17-18-11(7)19-23(21,22)9-5-6-16-20(9)8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H2,17,18,19)
InChIKeyHZFLTEHIBBXZTO-UHFFFAOYSA-N
XLogP2.46
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclobutyl-N-(2,4-difluoro-3-hydroxyphenyl)pyrazole-3-sulfonamide
CID 146144012
2-cyclobutyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrazole-3-sulfonamide
CID 136569915
N-(5-cyano-6-methyl-3-pyridinyl)-2-cyclopentylpyrazole-3-sulfonamide
CID 167770576
2-cyclopentylpyrazole-3-sulfonyl chloride
CID 50896655
1-cyclobutyl-5-(trifluoromethyl)pyrazole
CID 161495337
1-cyclobutyl-4-methyl-5-(trifluoromethyl)pyrazole
CID 176717597
2-cyclobutyl-N-(1-oxothiolan-1-ylidene)pyrazole-3-sulfonamide
CID 146103569
N-(2-cyclobutylpyrazol-3-yl)-2-(difluoromethyl)benzenesulfonamide
CID 146143784
1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid
CID 146133509
2-(oxan-4-yl)pyrazole-3-sulfonyl chloride
CID 84737715
1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole
CID 146106156
2-(cyclobutylmethyl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyrazole-3-sulfonamide
CID 154789030

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazole-3-sulfonamide?
The IUPAC name of 2-cyclobutyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazole-3-sulfonamide (CID 138052554) is 2-cyclobutyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazole-3-sulfonamide.
What is the SMILES notation for 2-cyclobutyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazole-3-sulfonamide?
The canonical SMILES for 2-cyclobutyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazole-3-sulfonamide is Cc1c(NS(=O)(=O)c2ccnn2C2CCC2)n[nH]c1C(F)(F)F.
What is the InChIKey of 2-cyclobutyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazole-3-sulfonamide?
The InChIKey is HZFLTEHIBBXZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O2S/c1-7-10(12(13,14)15)17-18-11(7)19-23(21,22)9-5-6-16-20(9)8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H2,17,18,19).
What are the key properties of 2-cyclobutyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazole-3-sulfonamide?
2-cyclobutyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazole-3-sulfonamide has a molecular weight of 349.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazole-3-sulfonamide is sourced from PubChem (CID 138052554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).