3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole

C23H19ClN2O — CID 135065097

IUPAC3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole
SMILESCOc1ccc(-c2c(-c3ccc(Cl)cc3)nn(C)c2-c2ccccc2)cc1
InChIInChI=1S/C23H19ClN2O/c1-26-23(18-6-4-3-5-7-18)21(16-10-14-20(27-2)15-11-16)22(25-26)17-8-12-19(24)13-9-17/h3-15H,1-2H3
InChIKeyNAIUYLVKPVAMCT-UHFFFAOYSA-N
MW374.87 g/mol
LogP6.08
Rot. Bonds4

About 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole

3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole (PubChem CID 135065097) has the molecular formula C23H19ClN2O and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole
PubChem CID135065097
Molecular FormulaC23H19ClN2O
Molecular Weight374.87 g/mol
Exact Mass374.12
IUPAC Name3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole
SMILESCOc1ccc(-c2c(-c3ccc(Cl)cc3)nn(C)c2-c2ccccc2)cc1
InChIInChI=1S/C23H19ClN2O/c1-26-23(18-6-4-3-5-7-18)21(16-10-14-20(27-2)15-11-16)22(25-26)17-8-12-19(24)13-9-17/h3-15H,1-2H3
InChIKeyNAIUYLVKPVAMCT-UHFFFAOYSA-N
XLogP6.08
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.87
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrazole
CID 73293983
5-Chloro-4-[methoxy(phenyl)methyl]-1-methyl-3-phenylpyrazole
CID 3734300
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
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
3-(4-Methoxyphenyl)-1-methyl-5-phenylpyrazole
CID 12121022
5-(3-Methoxyphenyl)-1-methyl-3-phenylpyrazole
CID 44451823
3-(4-Chlorophenyl)-5-(2,5-dimethoxyphenyl)-1-phenylpyrazole
CID 24204419
2-[3-(4-Chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol
CID 50905138

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole?
The IUPAC name of 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole (CID 135065097) is 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole is COc1ccc(-c2c(-c3ccc(Cl)cc3)nn(C)c2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole?
The InChIKey is NAIUYLVKPVAMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O/c1-26-23(18-6-4-3-5-7-18)21(16-10-14-20(27-2)15-11-16)22(25-26)17-8-12-19(24)13-9-17/h3-15H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole?
3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole has a molecular weight of 374.87 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole is sourced from PubChem (CID 135065097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).