4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole

C23H14ClF5N2 — CID 19586843

IUPAC4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESFc1ccc(-c2nn(Cc3cccc(C(F)(F)F)c3)c(-c3ccc(F)cc3)c2Cl)cc1
InChIInChI=1S/C23H14ClF5N2/c24-20-21(15-4-8-18(25)9-5-15)30-31(22(20)16-6-10-19(26)11-7-16)13-14-2-1-3-17(12-14)23(27,28)29/h1-12H,13H2
InChIKeySWJFNHSKMZAPFD-UHFFFAOYSA-N
MW448.82 g/mol
LogP7.22
Rot. Bonds4

About 4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole

4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole (PubChem CID 19586843) has the molecular formula C23H14ClF5N2 and a molecular weight of 448.82 g/mol. Its IUPAC name is 4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
PubChem CID19586843
Molecular FormulaC23H14ClF5N2
Molecular Weight448.82 g/mol
Exact Mass448.08
IUPAC Name4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESFc1ccc(-c2nn(Cc3cccc(C(F)(F)F)c3)c(-c3ccc(F)cc3)c2Cl)cc1
InChIInChI=1S/C23H14ClF5N2/c24-20-21(15-4-8-18(25)9-5-15)30-31(22(20)16-6-10-19(26)11-7-16)13-14-2-1-3-17(12-14)23(27,28)29/h1-12H,13H2
InChIKeySWJFNHSKMZAPFD-UHFFFAOYSA-N
XLogP7.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.82
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]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

3,5-bis(3-bromophenyl)-4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 19587018
3,5-bis(4-bromophenyl)-4-chloro-1-[(3-methylphenyl)methyl]pyrazole
CID 17025409
2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 53331785
3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 114692714
4-fluoro-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19392877
1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole
CID 139239898
3,5-bis(4-bromophenyl)-4-chloro-1-[(4-methylphenyl)methyl]pyrazole
CID 17025335
5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 117232554
4-iodo-3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 79785518
[5-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methanamine
CID 161397429
5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134800035
4-(3-chlorophenyl)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one
CID 5188117

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The IUPAC name of 4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole (CID 19586843) is 4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole.
What is the SMILES notation for 4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The canonical SMILES for 4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole is Fc1ccc(-c2nn(Cc3cccc(C(F)(F)F)c3)c(-c3ccc(F)cc3)c2Cl)cc1.
What is the InChIKey of 4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The InChIKey is SWJFNHSKMZAPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF5N2/c24-20-21(15-4-8-18(25)9-5-15)30-31(22(20)16-6-10-19(26)11-7-16)13-14-2-1-3-17(12-14)23(27,28)29/h1-12H,13H2.
What are the key properties of 4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole has a molecular weight of 448.82 g/mol, XLogP of 7.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole is sourced from PubChem (CID 19586843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).