1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole

C24H17ClF4N2O2 — CID 17025640

IUPAC1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)n(Cc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C24H17ClF4N2O2/c25-18-7-1-15(2-8-18)14-31-22(17-5-11-20(12-6-17)33-24(28)29)13-21(30-31)16-3-9-19(10-4-16)32-23(26)27/h1-13,23-24H,14H2
InChIKeyUJLJGYGFEORBLI-UHFFFAOYSA-N
MW476.86 g/mol
LogP7.12
Rot. Bonds8

About 1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole

1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole (PubChem CID 17025640) has the molecular formula C24H17ClF4N2O2 and a molecular weight of 476.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole
PubChem CID17025640
Molecular FormulaC24H17ClF4N2O2
Molecular Weight476.86 g/mol
Exact Mass476.09
IUPAC Name1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)n(Cc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C24H17ClF4N2O2/c25-18-7-1-15(2-8-18)14-31-22(17-5-11-20(12-6-17)33-24(28)29)13-21(30-31)16-3-9-19(10-4-16)32-23(26)27/h1-13,23-24H,14H2
InChIKeyUJLJGYGFEORBLI-UHFFFAOYSA-N
XLogP7.12
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.86
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]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

5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole
CID 4306515
1-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-3-trifluoromethyl-1H-pyrazole
CID 10360688
5-(4-Methoxyphenyl)-1,3-diphenyl-1H-pyrazole
CID 14532339
4-(4-Chloro-phenyl)-7-methoxy-1,2-dihydro-3,9,9a-triaza-fluorene 9-oxide
CID 25102386
4-(4-Chloro-phenyl)-7-methoxy-1,2-dihydro-3,9,9a-triaza-fluorene
CID 25102508
1-[3-[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 46912850
2-[1-(4-methoxybenzyl)-3-phenyl-1H-pyrazol-5-yl]phenol
CID 1038912
4-chloro-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 70688478
3-(4-Chloro-phenyl)-5-fluoro-1-(4-methoxy-phenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 44370604
1-(4-Chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol
CID 50908377
(E)-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
CID 168273871
2-{1-[(4-Chlorophenyl)methyl]-3-phenylpyrazol-5-yl}phenol
CID 1256491

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole (CID 17025640) is 1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole is FC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)n(Cc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
The InChIKey is UJLJGYGFEORBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF4N2O2/c25-18-7-1-15(2-8-18)14-31-22(17-5-11-20(12-6-17)33-24(28)29)13-21(30-31)16-3-9-19(10-4-16)32-23(26)27/h1-13,23-24H,14H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole has a molecular weight of 476.86 g/mol, XLogP of 7.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 17025640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).