4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine

C18H19N3O2 — CID 680669

IUPAC4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine
SMILESCOc1ccc(-c2c(C)nn(-c3ccccc3)c2N)cc1OC
InChIInChI=1S/C18H19N3O2/c1-12-17(13-9-10-15(22-2)16(11-13)23-3)18(19)21(20-12)14-7-5-4-6-8-14/h4-11H,19H2,1-3H3
InChIKeyYCDJFCDTUAIDAA-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.45
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine

4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine (PubChem CID 680669) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine
PubChem CID680669
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine
SMILESCOc1ccc(-c2c(C)nn(-c3ccccc3)c2N)cc1OC
InChIInChI=1S/C18H19N3O2/c1-12-17(13-9-10-15(22-2)16(11-13)23-3)18(19)21(20-12)14-7-5-4-6-8-14/h4-11H,19H2,1-3H3
InChIKeyYCDJFCDTUAIDAA-UHFFFAOYSA-N
XLogP3.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine (CID 680669) is 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine is COc1ccc(-c2c(C)nn(-c3ccccc3)c2N)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine?
The InChIKey is YCDJFCDTUAIDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-17(13-9-10-15(22-2)16(11-13)23-3)18(19)21(20-12)14-7-5-4-6-8-14/h4-11H,19H2,1-3H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine?
4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine has a molecular weight of 309.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine is sourced from PubChem (CID 680669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).