5-chloro-3-cyclopentyl-1-[(4-fluorophenyl)methyl]pyrazole

C15H16ClFN2 — CID 113390724

IUPAC5-chloro-3-cyclopentyl-1-[(4-fluorophenyl)methyl]pyrazole
SMILESFc1ccc(Cn2nc(C3CCCC3)cc2Cl)cc1
InChIInChI=1S/C15H16ClFN2/c16-15-9-14(12-3-1-2-4-12)18-19(15)10-11-5-7-13(17)8-6-11/h5-9,12H,1-4,10H2
InChIKeyBWYUAJLEOKGSGA-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.38
Rot. Bonds3

About 5-chloro-3-cyclopentyl-1-[(4-fluorophenyl)methyl]pyrazole

5-chloro-3-cyclopentyl-1-[(4-fluorophenyl)methyl]pyrazole (PubChem CID 113390724) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 5-chloro-3-cyclopentyl-1-[(4-fluorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name5-chloro-3-cyclopentyl-1-[(4-fluorophenyl)methyl]pyrazole
PubChem CID113390724
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name5-chloro-3-cyclopentyl-1-[(4-fluorophenyl)methyl]pyrazole
SMILESFc1ccc(Cn2nc(C3CCCC3)cc2Cl)cc1
InChIInChI=1S/C15H16ClFN2/c16-15-9-14(12-3-1-2-4-12)18-19(15)10-11-5-7-13(17)8-6-11/h5-9,12H,1-4,10H2
InChIKeyBWYUAJLEOKGSGA-UHFFFAOYSA-N
XLogP4.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 82301432
4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine
CID 63355441
6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
CID 55874406
3-cyclopropyl-1-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 118561268
6-cyclopropyl-2-[[(1S,5S)-8-[(4-fluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-one
CID 98133443
5-cyclopropyl-1-[(4-fluorophenyl)methyl]imidazole
CID 116811649
4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperidine
CID 174420466
4-[(Z)-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-3-cyclopropyl-1H-1,2,4-triazole-5-thione
CID 9357876
3-chloro-2-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole
CID 83192667
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-fluorobenzamide
CID 134798522
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95823928
methyl 4-[[3-cyclohexyl-5-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]benzoate
CID 67335595

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopentyl-1-[(4-fluorophenyl)methyl]pyrazole?
The IUPAC name of 5-chloro-3-cyclopentyl-1-[(4-fluorophenyl)methyl]pyrazole (CID 113390724) is 5-chloro-3-cyclopentyl-1-[(4-fluorophenyl)methyl]pyrazole.
What is the SMILES notation for 5-chloro-3-cyclopentyl-1-[(4-fluorophenyl)methyl]pyrazole?
The canonical SMILES for 5-chloro-3-cyclopentyl-1-[(4-fluorophenyl)methyl]pyrazole is Fc1ccc(Cn2nc(C3CCCC3)cc2Cl)cc1.
What is the InChIKey of 5-chloro-3-cyclopentyl-1-[(4-fluorophenyl)methyl]pyrazole?
The InChIKey is BWYUAJLEOKGSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c16-15-9-14(12-3-1-2-4-12)18-19(15)10-11-5-7-13(17)8-6-11/h5-9,12H,1-4,10H2.
What are the key properties of 5-chloro-3-cyclopentyl-1-[(4-fluorophenyl)methyl]pyrazole?
5-chloro-3-cyclopentyl-1-[(4-fluorophenyl)methyl]pyrazole has a molecular weight of 278.76 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopentyl-1-[(4-fluorophenyl)methyl]pyrazole is sourced from PubChem (CID 113390724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).