2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-4-methyl-5H-cyclopenta[c]pyrazol-4-ol

C14H9Cl2F5N2O — CID 18614786

IUPAC2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-4-methyl-5H-cyclopenta[c]pyrazol-4-ol
SMILESCC1(O)CC(F)(F)c2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)cc21
InChIInChI=1S/C14H9Cl2F5N2O/c1-12(24)5-13(17,18)11-7(12)4-23(22-11)10-8(15)2-6(3-9(10)16)14(19,20)21/h2-4,24H,5H2,1H3
InChIKeySFKOLRDJFOPFKW-UHFFFAOYSA-N
MW387.14 g/mol
LogP4.90
Rot. Bonds1

About 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-4-methyl-5H-cyclopenta[c]pyrazol-4-ol

2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-4-methyl-5H-cyclopenta[c]pyrazol-4-ol (PubChem CID 18614786) has the molecular formula C14H9Cl2F5N2O and a molecular weight of 387.14 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-4-methyl-5H-cyclopenta[c]pyrazol-4-ol.

Molecular Properties

Compound Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-4-methyl-5H-cyclopenta[c]pyrazol-4-ol
PubChem CID18614786
Molecular FormulaC14H9Cl2F5N2O
Molecular Weight387.14 g/mol
Exact Mass386.00
IUPAC Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-4-methyl-5H-cyclopenta[c]pyrazol-4-ol
SMILESCC1(O)CC(F)(F)c2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)cc21
InChIInChI=1S/C14H9Cl2F5N2O/c1-12(24)5-13(17,18)11-7(12)4-23(22-11)10-8(15)2-6(3-9(10)16)14(19,20)21/h2-4,24H,5H2,1H3
InChIKeySFKOLRDJFOPFKW-UHFFFAOYSA-N
XLogP4.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.14
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-4-methyl-5H-cyclopenta[c]pyrazol-4-ol 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

2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4,6-dihydrocyclopenta[c]pyrazol-4-ol
CID 18614778
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,5-difluoro-4-methylsulfanyl-4,6-dihydrocyclopenta[c]pyrazole
CID 18614774
4-bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole
CID 14402643
4-[5-[chloro(difluoro)methyl]-3,4-dihydropyrazol-5-yl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CID 18699449
4-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CID 18699453
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 141466675
4-(1,2-dibromoprop-1-enyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CID 54140540
methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 14280199
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(1,2,2-trichloroethenyl)pyrazole-3-carbonitrile
CID 21188092
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-3-(trifluoromethyl)pyrazole
CID 22618556
[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 19778386
4-chloro-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 18614754

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-4-methyl-5H-cyclopenta[c]pyrazol-4-ol?
The IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-4-methyl-5H-cyclopenta[c]pyrazol-4-ol (CID 18614786) is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-4-methyl-5H-cyclopenta[c]pyrazol-4-ol.
What is the SMILES notation for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-4-methyl-5H-cyclopenta[c]pyrazol-4-ol?
The canonical SMILES for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-4-methyl-5H-cyclopenta[c]pyrazol-4-ol is CC1(O)CC(F)(F)c2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)cc21.
What is the InChIKey of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-4-methyl-5H-cyclopenta[c]pyrazol-4-ol?
The InChIKey is SFKOLRDJFOPFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F5N2O/c1-12(24)5-13(17,18)11-7(12)4-23(22-11)10-8(15)2-6(3-9(10)16)14(19,20)21/h2-4,24H,5H2,1H3.
What are the key properties of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-4-methyl-5H-cyclopenta[c]pyrazol-4-ol?
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-4-methyl-5H-cyclopenta[c]pyrazol-4-ol has a molecular weight of 387.14 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6,6-difluoro-4-methyl-5H-cyclopenta[c]pyrazol-4-ol is sourced from PubChem (CID 18614786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).