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

C22H17ClN2O — CID 166447647

IUPAC3-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylpyrazole
SMILESCOc1ccc(-n2cc(-c3ccccc3)c(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C22H17ClN2O/c1-26-20-12-10-19(11-13-20)25-15-21(16-6-3-2-4-7-16)22(24-25)17-8-5-9-18(23)14-17/h2-15H,1H3
InChIKeyGYPDTVFODLQDAY-UHFFFAOYSA-N
MW360.84 g/mol
LogP5.87
Rot. Bonds4

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

3-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylpyrazole (PubChem CID 166447647) has the molecular formula C22H17ClN2O and a molecular weight of 360.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylpyrazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylpyrazole
PubChem CID166447647
Molecular FormulaC22H17ClN2O
Molecular Weight360.84 g/mol
Exact Mass360.10
IUPAC Name3-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylpyrazole
SMILESCOc1ccc(-n2cc(-c3ccccc3)c(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C22H17ClN2O/c1-26-20-12-10-19(11-13-20)25-15-21(16-6-3-2-4-7-16)22(24-25)17-8-5-9-18(23)14-17/h2-15H,1H3
InChIKeyGYPDTVFODLQDAY-UHFFFAOYSA-N
XLogP5.87
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.84
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine
CID 83204335
4-(3-methoxyphenyl)-1,3-diphenylpyrazole
CID 166447646
1,3,4-triphenylpyrazole
CID 555882
3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole
CID 141089729
[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
CID 3799605
8-methoxy-3-[4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-phenyl-2-pyridinyl]chromen-2-one
CID 46873264
4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 122398732
4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine
CID 131698334
3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 43324124
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
4-(4-bromophenyl)-6-[1-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]-1H-pyrimidine-2-thione
CID 155813387
4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole
CID 117229414

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylpyrazole?
The IUPAC name of 3-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylpyrazole (CID 166447647) is 3-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylpyrazole.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylpyrazole?
The canonical SMILES for 3-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylpyrazole is COc1ccc(-n2cc(-c3ccccc3)c(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylpyrazole?
The InChIKey is GYPDTVFODLQDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O/c1-26-20-12-10-19(11-13-20)25-15-21(16-6-3-2-4-7-16)22(24-25)17-8-5-9-18(23)14-17/h2-15H,1H3.
What are the key properties of 3-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylpyrazole?
3-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylpyrazole has a molecular weight of 360.84 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylpyrazole is sourced from PubChem (CID 166447647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).