4-hydroxy-5-[3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazol-4-yl]benzene-1,2-dicarbonitrile

C25H18N4O2 — CID 110194687

IUPAC4-hydroxy-5-[3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazol-4-yl]benzene-1,2-dicarbonitrile
SMILESCOc1ccc(-c2nn(-c3ccccc3)c(C)c2-c2cc(C#N)c(C#N)cc2O)cc1
InChIInChI=1S/C25H18N4O2/c1-16-24(22-12-18(14-26)19(15-27)13-23(22)30)25(17-8-10-21(31-2)11-9-17)28-29(16)20-6-4-3-5-7-20/h3-13,30H,1-2H3
InChIKeyJIELDCHEQUGLCH-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.97
Rot. Bonds4

About 4-hydroxy-5-[3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazol-4-yl]benzene-1,2-dicarbonitrile

4-hydroxy-5-[3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazol-4-yl]benzene-1,2-dicarbonitrile (PubChem CID 110194687) has the molecular formula C25H18N4O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 4-hydroxy-5-[3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazol-4-yl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-hydroxy-5-[3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazol-4-yl]benzene-1,2-dicarbonitrile
PubChem CID110194687
Molecular FormulaC25H18N4O2
Molecular Weight406.45 g/mol
Exact Mass406.14
IUPAC Name4-hydroxy-5-[3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazol-4-yl]benzene-1,2-dicarbonitrile
SMILESCOc1ccc(-c2nn(-c3ccccc3)c(C)c2-c2cc(C#N)c(C#N)cc2O)cc1
InChIInChI=1S/C25H18N4O2/c1-16-24(22-12-18(14-26)19(15-27)13-23(22)30)25(17-8-10-21(31-2)11-9-17)28-29(16)20-6-4-3-5-7-20/h3-13,30H,1-2H3
InChIKeyJIELDCHEQUGLCH-UHFFFAOYSA-N
XLogP4.97
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-5-[3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazol-4-yl]benzene-1,2-dicarbonitrile 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

6-Amino-4-(4-methoxyphenyl)-1,3-diphenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3528661
5-(4-Methoxyphenyl)-1,3-diphenyl-1H-pyrazole
CID 14532339
6-Amino-4-(4-hydroxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2835012
2-[1-(4-methoxybenzyl)-3-phenyl-1H-pyrazol-5-yl]phenol
CID 1038912
6-Amino-3,4-bis(4-methoxyphenyl)-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 89647164
6-Amino-3-(4-methoxyphenyl)-1,4-diphenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 89649860
4-[5-(3,4-Dimethoxyphenyl)-1-(2-fluorophenyl)pyrazol-3-yl]benzonitrile
CID 45272038
3-(4-Methoxyphenyl)-1,5-diphenyl-1H-pyrazole
CID 349863
2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-2,3-diphenyl-
CID 3079092
2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)-2-phenyl-
CID 3079095
4-(5-Methoxy-3-methyl-1-phenylpyrazol-4-yl)phenol
CID 127028170
2-(1,3-Diphenylpyrazol-5-yl)-3,5-dimethoxyphenol
CID 145969919

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazol-4-yl]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-hydroxy-5-[3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazol-4-yl]benzene-1,2-dicarbonitrile (CID 110194687) is 4-hydroxy-5-[3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazol-4-yl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-hydroxy-5-[3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazol-4-yl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-hydroxy-5-[3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazol-4-yl]benzene-1,2-dicarbonitrile is COc1ccc(-c2nn(-c3ccccc3)c(C)c2-c2cc(C#N)c(C#N)cc2O)cc1.
What is the InChIKey of 4-hydroxy-5-[3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazol-4-yl]benzene-1,2-dicarbonitrile?
The InChIKey is JIELDCHEQUGLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O2/c1-16-24(22-12-18(14-26)19(15-27)13-23(22)30)25(17-8-10-21(31-2)11-9-17)28-29(16)20-6-4-3-5-7-20/h3-13,30H,1-2H3.
What are the key properties of 4-hydroxy-5-[3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazol-4-yl]benzene-1,2-dicarbonitrile?
4-hydroxy-5-[3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazol-4-yl]benzene-1,2-dicarbonitrile has a molecular weight of 406.45 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazol-4-yl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 110194687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).