5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile

C18H16N4O2 — CID 132547191

IUPAC5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile
SMILESCOc1ccc(-c2nn(-c3ccccc3)c(N)c2C#N)cc1OC
InChIInChI=1S/C18H16N4O2/c1-23-15-9-8-12(10-16(15)24-2)17-14(11-19)18(20)22(21-17)13-6-4-3-5-7-13/h3-10H,20H2,1-2H3
InChIKeyIEPQQKPQQMZUHA-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.01
Rot. Bonds4

About 5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile

5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile (PubChem CID 132547191) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile
PubChem CID132547191
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile
SMILESCOc1ccc(-c2nn(-c3ccccc3)c(N)c2C#N)cc1OC
InChIInChI=1S/C18H16N4O2/c1-23-15-9-8-12(10-16(15)24-2)17-14(11-19)18(20)22(21-17)13-6-4-3-5-7-13/h3-10H,20H2,1-2H3
InChIKeyIEPQQKPQQMZUHA-UHFFFAOYSA-N
XLogP3.01
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile 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

5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
CID 22309810
4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine
CID 767167
6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4890247
4-(3,4-dimethoxyphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 4904067
5-amino-3-(3-ethoxy-4-methoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 68707523
5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
CID 22309777
5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
CID 22309822
2-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111088728
2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 3116796
5-amino-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 22309790
5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 5287070
5-amino-1-phenyl-3-(sulfanylmethyl)pyrazole-4-carbonitrile
CID 138811067

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile (CID 132547191) is 5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile is COc1ccc(-c2nn(-c3ccccc3)c(N)c2C#N)cc1OC.
What is the InChIKey of 5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile?
The InChIKey is IEPQQKPQQMZUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-23-15-9-8-12(10-16(15)24-2)17-14(11-19)18(20)22(21-17)13-6-4-3-5-7-13/h3-10H,20H2,1-2H3.
What are the key properties of 5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile?
5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile has a molecular weight of 320.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 132547191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).