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

C16H15N3O — CID 2110942

IUPAC3-(4-methoxyphenyl)-1-phenylpyrazol-4-amine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2N)cc1
InChIInChI=1S/C16H15N3O/c1-20-14-9-7-12(8-10-14)16-15(17)11-19(18-16)13-5-3-2-4-6-13/h2-11H,17H2,1H3
InChIKeyNUAGXUJVJWBMOC-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.13
Rot. Bonds3

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

3-(4-methoxyphenyl)-1-phenylpyrazol-4-amine (PubChem CID 2110942) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-phenylpyrazol-4-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-phenylpyrazol-4-amine
PubChem CID2110942
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-(4-methoxyphenyl)-1-phenylpyrazol-4-amine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2N)cc1
InChIInChI=1S/C16H15N3O/c1-20-14-9-7-12(8-10-14)16-15(17)11-19(18-16)13-5-3-2-4-6-13/h2-11H,17H2,1H3
InChIKeyNUAGXUJVJWBMOC-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 3-(4-methoxyphenyl)-1-phenylpyrazol-4-amine?
The IUPAC name of 3-(4-methoxyphenyl)-1-phenylpyrazol-4-amine (CID 2110942) is 3-(4-methoxyphenyl)-1-phenylpyrazol-4-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-phenylpyrazol-4-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-phenylpyrazol-4-amine is COc1ccc(-c2nn(-c3ccccc3)cc2N)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-phenylpyrazol-4-amine?
The InChIKey is NUAGXUJVJWBMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-14-9-7-12(8-10-14)16-15(17)11-19(18-16)13-5-3-2-4-6-13/h2-11H,17H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-phenylpyrazol-4-amine?
3-(4-methoxyphenyl)-1-phenylpyrazol-4-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 3-(4-methoxyphenyl)-1-phenylpyrazol-4-amine is sourced from PubChem (CID 2110942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).