4-(3-methoxyphenyl)-1,3-diphenylpyrazole

C22H18N2O — CID 166447646

IUPAC4-(3-methoxyphenyl)-1,3-diphenylpyrazole
SMILESCOc1cccc(-c2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C22H18N2O/c1-25-20-14-8-11-18(15-20)21-16-24(19-12-6-3-7-13-19)23-22(21)17-9-4-2-5-10-17/h2-16H,1H3
InChIKeyXYLZJSXXNQMRIZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.21
Rot. Bonds4

About 4-(3-methoxyphenyl)-1,3-diphenylpyrazole

4-(3-methoxyphenyl)-1,3-diphenylpyrazole (PubChem CID 166447646) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1,3-diphenylpyrazole.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1,3-diphenylpyrazole
PubChem CID166447646
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name4-(3-methoxyphenyl)-1,3-diphenylpyrazole
SMILESCOc1cccc(-c2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C22H18N2O/c1-25-20-14-8-11-18(15-20)21-16-24(19-12-6-3-7-13-19)23-22(21)17-9-4-2-5-10-17/h2-16H,1H3
InChIKeyXYLZJSXXNQMRIZ-UHFFFAOYSA-N
XLogP5.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4-triphenylpyrazole
CID 555882
3-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylpyrazole
CID 166447647
N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 2423837
[4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazin-1-yl]-phenylmethanone
CID 171920716
3-(1,3-diphenylpyrazol-4-yl)pyridine
CID 166447662
N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]benzamide
CID 155810123
(1,3-diphenylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574762
3-methoxy-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide
CID 155807269
4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 122398732
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43002761
2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol
CID 26392310
7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole
CID 11608814

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1,3-diphenylpyrazole?
The IUPAC name of 4-(3-methoxyphenyl)-1,3-diphenylpyrazole (CID 166447646) is 4-(3-methoxyphenyl)-1,3-diphenylpyrazole.
What is the SMILES notation for 4-(3-methoxyphenyl)-1,3-diphenylpyrazole?
The canonical SMILES for 4-(3-methoxyphenyl)-1,3-diphenylpyrazole is COc1cccc(-c2cn(-c3ccccc3)nc2-c2ccccc2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-1,3-diphenylpyrazole?
The InChIKey is XYLZJSXXNQMRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-25-20-14-8-11-18(15-20)21-16-24(19-12-6-3-7-13-19)23-22(21)17-9-4-2-5-10-17/h2-16H,1H3.
What are the key properties of 4-(3-methoxyphenyl)-1,3-diphenylpyrazole?
4-(3-methoxyphenyl)-1,3-diphenylpyrazole has a molecular weight of 326.40 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1,3-diphenylpyrazole is sourced from PubChem (CID 166447646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).