1-[3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrazol-1-yl]ethanone

C33H26N4O2 — CID 155521349

IUPAC1-[3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrazol-1-yl]ethanone
SMILESCC(=O)n1nc(-c2ccccc2)cc1-c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C33H26N4O2/c1-24(38)37-32(21-31(34-37)26-13-7-3-8-14-26)30-22-36(28-15-9-4-10-16-28)35-33(30)27-17-19-29(20-18-27)39-23-25-11-5-2-6-12-25/h2-22H,23H2,1H3
InChIKeyGXVBFMDZQMQKOU-UHFFFAOYSA-N
MW510.60 g/mol
LogP7.31
Rot. Bonds7

About 1-[3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrazol-1-yl]ethanone

1-[3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrazol-1-yl]ethanone (PubChem CID 155521349) has the molecular formula C33H26N4O2 and a molecular weight of 510.60 g/mol. Its IUPAC name is 1-[3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrazol-1-yl]ethanone
PubChem CID155521349
Molecular FormulaC33H26N4O2
Molecular Weight510.60 g/mol
Exact Mass510.21
IUPAC Name1-[3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrazol-1-yl]ethanone
SMILESCC(=O)n1nc(-c2ccccc2)cc1-c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C33H26N4O2/c1-24(38)37-32(21-31(34-37)26-13-7-3-8-14-26)30-22-36(28-15-9-4-10-16-28)35-33(30)27-17-19-29(20-18-27)39-23-25-11-5-2-6-12-25/h2-22H,23H2,1H3
InChIKeyGXVBFMDZQMQKOU-UHFFFAOYSA-N
XLogP7.31
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrazol-1-yl]ethanone 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-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
3-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6890368
(5Z)-2-Imino-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-YL]methylene}-1,3-thiazolidin-4-one
CID 1924867
2-[4-(2-methylpyrazol-3-yl)phenoxy]-N-(4-phenylphenyl)acetamide
CID 117671214
5-[[3-(4-Butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 145432945
5-[3-(1,3-Diphenylpyrazol-4-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 3132761
N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189799
2-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}isoxazolidine
CID 16191137
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[1-(2-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}ethanamine
CID 16192336
N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]-N-[(3-methylpyridin-4-yl)methyl]methanamine
CID 16192340
N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-(4-pyridinylmethyl)ethanamine
CID 16192364

Frequently Asked Questions

What is the IUPAC name of 1-[3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrazol-1-yl]ethanone?
The IUPAC name of 1-[3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrazol-1-yl]ethanone (CID 155521349) is 1-[3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrazol-1-yl]ethanone is CC(=O)n1nc(-c2ccccc2)cc1-c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-[3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrazol-1-yl]ethanone?
The InChIKey is GXVBFMDZQMQKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N4O2/c1-24(38)37-32(21-31(34-37)26-13-7-3-8-14-26)30-22-36(28-15-9-4-10-16-28)35-33(30)27-17-19-29(20-18-27)39-23-25-11-5-2-6-12-25/h2-22H,23H2,1H3.
What are the key properties of 1-[3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrazol-1-yl]ethanone?
1-[3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrazol-1-yl]ethanone has a molecular weight of 510.60 g/mol, XLogP of 7.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-phenyl-5-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyrazol-1-yl]ethanone is sourced from PubChem (CID 155521349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).