3-chloro-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole

C13H10ClF3N2 — CID 66023397

IUPAC3-chloro-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESFC(F)(F)c1cccc(-n2nc3c(c2Cl)CCC3)c1
InChIInChI=1S/C13H10ClF3N2/c14-12-10-5-2-6-11(10)18-19(12)9-4-1-3-8(7-9)13(15,16)17/h1,3-4,7H,2,5-6H2
InChIKeyGBDWLBRNRSCQDC-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.03
Rot. Bonds1

About 3-chloro-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole

3-chloro-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 66023397) has the molecular formula C13H10ClF3N2 and a molecular weight of 286.68 g/mol. Its IUPAC name is 3-chloro-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name3-chloro-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID66023397
Molecular FormulaC13H10ClF3N2
Molecular Weight286.68 g/mol
Exact Mass286.05
IUPAC Name3-chloro-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESFC(F)(F)c1cccc(-n2nc3c(c2Cl)CCC3)c1
InChIInChI=1S/C13H10ClF3N2/c14-12-10-5-2-6-11(10)18-19(12)9-4-1-3-8(7-9)13(15,16)17/h1,3-4,7H,2,5-6H2
InChIKeyGBDWLBRNRSCQDC-UHFFFAOYSA-N
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 66021756
3-chloro-2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
CID 66020951
3-chloro-2-(3-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
CID 114798880
3-chloro-2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole
CID 66022173
5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole
CID 3727571
3-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4544090
5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 66020727
5-chloro-3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 63788601
5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 123543112
5-chloro-3-(methoxymethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 62318818
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3358302
3-benzyl-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 4015983

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 3-chloro-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 66023397) is 3-chloro-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 3-chloro-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 3-chloro-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole is FC(F)(F)c1cccc(-n2nc3c(c2Cl)CCC3)c1.
What is the InChIKey of 3-chloro-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is GBDWLBRNRSCQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2/c14-12-10-5-2-6-11(10)18-19(12)9-4-1-3-8(7-9)13(15,16)17/h1,3-4,7H,2,5-6H2.
What are the key properties of 3-chloro-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
3-chloro-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 286.68 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 66023397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).