3-cyclobutyl-1-phenyl-5-(trifluoromethyl)pyrazole

C14H13F3N2 — CID 135066256

IUPAC3-cyclobutyl-1-phenyl-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(C2CCC2)nn1-c1ccccc1
InChIInChI=1S/C14H13F3N2/c15-14(16,17)13-9-12(10-5-4-6-10)18-19(13)11-7-2-1-3-8-11/h1-3,7-10H,4-6H2
InChIKeyAWSKDQLKIKWFIB-UHFFFAOYSA-N
MW266.27 g/mol
LogP4.16
Rot. Bonds2

About 3-cyclobutyl-1-phenyl-5-(trifluoromethyl)pyrazole

3-cyclobutyl-1-phenyl-5-(trifluoromethyl)pyrazole (PubChem CID 135066256) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 3-cyclobutyl-1-phenyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-cyclobutyl-1-phenyl-5-(trifluoromethyl)pyrazole
PubChem CID135066256
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name3-cyclobutyl-1-phenyl-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(C2CCC2)nn1-c1ccccc1
InChIInChI=1S/C14H13F3N2/c15-14(16,17)13-9-12(10-5-4-6-10)18-19(13)11-7-2-1-3-8-11/h1-3,7-10H,4-6H2
InChIKeyAWSKDQLKIKWFIB-UHFFFAOYSA-N
XLogP4.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclobutyl-1-phenyl-5-(trifluoromethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline
CID 2740668
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
Dimethylphenylpyrazole
CID 70800
3,5-ditert-butyl-1-phenyl-1H-pyrazole
CID 1240104
2-(3,5-dimethyl-1H-pyrazol-1-yl)benzonitrile
CID 2804987
4-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzenamine
CID 718051
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
1,3,5-Triphenylpyrazole
CID 626614
4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637
1,3-Diphenyl-1H-pyrazole-5-carbonitrile
CID 542822
4-(3,5-dimethyl-1H-pyrazol-1-yl)-3-fluoroaniline
CID 19627201

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-phenyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3-cyclobutyl-1-phenyl-5-(trifluoromethyl)pyrazole (CID 135066256) is 3-cyclobutyl-1-phenyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-cyclobutyl-1-phenyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-cyclobutyl-1-phenyl-5-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(C2CCC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclobutyl-1-phenyl-5-(trifluoromethyl)pyrazole?
The InChIKey is AWSKDQLKIKWFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c15-14(16,17)13-9-12(10-5-4-6-10)18-19(13)11-7-2-1-3-8-11/h1-3,7-10H,4-6H2.
What are the key properties of 3-cyclobutyl-1-phenyl-5-(trifluoromethyl)pyrazole?
3-cyclobutyl-1-phenyl-5-(trifluoromethyl)pyrazole has a molecular weight of 266.27 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-phenyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 135066256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).