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

C16H15N3O — CID 4121554

IUPAC1-(4-methoxyphenyl)-3-phenylpyrazol-5-amine
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2N)cc1
InChIInChI=1S/C16H15N3O/c1-20-14-9-7-13(8-10-14)19-16(17)11-15(18-19)12-5-3-2-4-6-12/h2-11H,17H2,1H3
InChIKeyJBFQWKFLFKHZRD-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.13
Rot. Bonds3

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

1-(4-methoxyphenyl)-3-phenylpyrazol-5-amine (PubChem CID 4121554) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-phenylpyrazol-5-amine
PubChem CID4121554
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-(4-methoxyphenyl)-3-phenylpyrazol-5-amine
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2N)cc1
InChIInChI=1S/C16H15N3O/c1-20-14-9-7-13(8-10-14)19-16(17)11-15(18-19)12-5-3-2-4-6-12/h2-11H,17H2,1H3
InChIKeyJBFQWKFLFKHZRD-UHFFFAOYSA-N
XLogP3.13
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-phenylpyrazol-5-amine?
The IUPAC name of 1-(4-methoxyphenyl)-3-phenylpyrazol-5-amine (CID 4121554) is 1-(4-methoxyphenyl)-3-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-phenylpyrazol-5-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-3-phenylpyrazol-5-amine is COc1ccc(-n2nc(-c3ccccc3)cc2N)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-phenylpyrazol-5-amine?
The InChIKey is JBFQWKFLFKHZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-14-9-7-13(8-10-14)19-16(17)11-15(18-19)12-5-3-2-4-6-12/h2-11H,17H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-phenylpyrazol-5-amine?
1-(4-methoxyphenyl)-3-phenylpyrazol-5-amine has a molecular weight of 265.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-phenylpyrazol-5-amine is sourced from PubChem (CID 4121554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).