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

C17H17N3O2 — CID 767167

IUPAC4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine
SMILESCOc1ccc(-c2cnn(-c3ccccc3)c2N)cc1OC
InChIInChI=1S/C17H17N3O2/c1-21-15-9-8-12(10-16(15)22-2)14-11-19-20(17(14)18)13-6-4-3-5-7-13/h3-11H,18H2,1-2H3
InChIKeyUQCKZDZYCHDCIU-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.14
Rot. Bonds4

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

4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine (PubChem CID 767167) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine
PubChem CID767167
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine
SMILESCOc1ccc(-c2cnn(-c3ccccc3)c2N)cc1OC
InChIInChI=1S/C17H17N3O2/c1-21-15-9-8-12(10-16(15)22-2)14-11-19-20(17(14)18)13-6-4-3-5-7-13/h3-11H,18H2,1-2H3
InChIKeyUQCKZDZYCHDCIU-UHFFFAOYSA-N
XLogP3.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine (CID 767167) is 4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine is COc1ccc(-c2cnn(-c3ccccc3)c2N)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine?
The InChIKey is UQCKZDZYCHDCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-21-15-9-8-12(10-16(15)22-2)14-11-19-20(17(14)18)13-6-4-3-5-7-13/h3-11H,18H2,1-2H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine?
4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine has a molecular weight of 295.34 g/mol, XLogP of 3.14, 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)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 767167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).