4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine

C17H17N3O — CID 970459

IUPAC4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine
SMILESCOc1ccc(-c2c(C)nn(-c3ccccc3)c2N)cc1
InChIInChI=1S/C17H17N3O/c1-12-16(13-8-10-15(21-2)11-9-13)17(18)20(19-12)14-6-4-3-5-7-14/h3-11H,18H2,1-2H3
InChIKeyXWFHNGQRBFOHTN-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.44
Rot. Bonds3

About 4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine

4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine (PubChem CID 970459) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine
PubChem CID970459
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine
SMILESCOc1ccc(-c2c(C)nn(-c3ccccc3)c2N)cc1
InChIInChI=1S/C17H17N3O/c1-12-16(13-8-10-15(21-2)11-9-13)17(18)20(19-12)14-6-4-3-5-7-14/h3-11H,18H2,1-2H3
InChIKeyXWFHNGQRBFOHTN-UHFFFAOYSA-N
XLogP3.44
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine?
The IUPAC name of 4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine (CID 970459) is 4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine is COc1ccc(-c2c(C)nn(-c3ccccc3)c2N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine?
The InChIKey is XWFHNGQRBFOHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-16(13-8-10-15(21-2)11-9-13)17(18)20(19-12)14-6-4-3-5-7-14/h3-11H,18H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine?
4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine has a molecular weight of 279.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazol-5-amine is sourced from PubChem (CID 970459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).