4-chloro-5-cyclopropyl-1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazole

C13H9ClF4N2 — CID 141307737

IUPAC4-chloro-5-cyclopropyl-1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazole
SMILESFc1ccccc1-n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C13H9ClF4N2/c14-10-11(7-5-6-7)20(19-12(10)13(16,17)18)9-4-2-1-3-8(9)15/h1-4,7H,5-6H2
InChIKeyKIAFRAXQOKMHML-UHFFFAOYSA-N
MW304.67 g/mol
LogP4.56
Rot. Bonds2

About 4-chloro-5-cyclopropyl-1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazole

4-chloro-5-cyclopropyl-1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 141307737) has the molecular formula C13H9ClF4N2 and a molecular weight of 304.67 g/mol. Its IUPAC name is 4-chloro-5-cyclopropyl-1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-5-cyclopropyl-1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazole
PubChem CID141307737
Molecular FormulaC13H9ClF4N2
Molecular Weight304.67 g/mol
Exact Mass304.04
IUPAC Name4-chloro-5-cyclopropyl-1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazole
SMILESFc1ccccc1-n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C13H9ClF4N2/c14-10-11(7-5-6-7)20(19-12(10)13(16,17)18)9-4-2-1-3-8(9)15/h1-4,7H,5-6H2
InChIKeyKIAFRAXQOKMHML-UHFFFAOYSA-N
XLogP4.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.67
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-2-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 10859040
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 35294439
N-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 135330794
1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-phenylethyl)thiourea
CID 19334431
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19531688
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide
CID 19535220
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536257
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 19526991
5-cyclobutyl-1-(2-fluorophenyl)triazole-4-carbaldehyde
CID 82196547
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 19535247
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 19527008
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide
CID 19323971

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-cyclopropyl-1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-chloro-5-cyclopropyl-1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazole (CID 141307737) is 4-chloro-5-cyclopropyl-1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-chloro-5-cyclopropyl-1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-chloro-5-cyclopropyl-1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazole is Fc1ccccc1-n1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 4-chloro-5-cyclopropyl-1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is KIAFRAXQOKMHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF4N2/c14-10-11(7-5-6-7)20(19-12(10)13(16,17)18)9-4-2-1-3-8(9)15/h1-4,7H,5-6H2.
What are the key properties of 4-chloro-5-cyclopropyl-1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazole?
4-chloro-5-cyclopropyl-1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 304.67 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-cyclopropyl-1-(2-fluorophenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 141307737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).