[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene

C23H21N5O2 — CID 91897793

IUPAC[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C/N=N/c2ccccn2)cc1OC
InChIInChI=1S/C23H21N5O2/c1-29-20-12-11-17(14-21(20)30-2)23-18(15-25-26-22-10-6-7-13-24-22)16-28(27-23)19-8-4-3-5-9-19/h3-14,16H,15H2,1-2H3/b26-25+
InChIKeySMTDYHZCUXDVJE-OCEACIFDSA-N
MW399.45 g/mol
LogP5.24
Rot. Bonds7

About [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene

[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene (PubChem CID 91897793) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene.

Molecular Properties

Compound Name[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene
PubChem CID91897793
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C/N=N/c2ccccn2)cc1OC
InChIInChI=1S/C23H21N5O2/c1-29-20-12-11-17(14-21(20)30-2)23-18(15-25-26-22-10-6-7-13-24-22)16-28(27-23)19-8-4-3-5-9-19/h3-14,16H,15H2,1-2H3/b26-25+
InChIKeySMTDYHZCUXDVJE-OCEACIFDSA-N
XLogP5.24
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene 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-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol
CID 883556
[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride
CID 155977757
3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide
CID 25475855
(4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene
CID 91897824
N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 43012762
4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
CID 1478012
N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 9296494
N-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 2369310
(6-bromo-4-phenylquinolin-2-yl)-[(1,3-diphenylpyrazol-4-yl)methyl]diazene
CID 123863317
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
CID 43016709
3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 29214008

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene?
The IUPAC name of [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene (CID 91897793) is [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene.
What is the SMILES notation for [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene?
The canonical SMILES for [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene is COc1ccc(-c2nn(-c3ccccc3)cc2C/N=N/c2ccccn2)cc1OC.
What is the InChIKey of [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene?
The InChIKey is SMTDYHZCUXDVJE-OCEACIFDSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-29-20-12-11-17(14-21(20)30-2)23-18(15-25-26-22-10-6-7-13-24-22)16-28(27-23)19-8-4-3-5-9-19/h3-14,16H,15H2,1-2H3/b26-25+.
What are the key properties of [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene?
[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene has a molecular weight of 399.45 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene is sourced from PubChem (CID 91897793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).