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

C16H15N3 — CID 2764841

IUPAC4-(3-methylphenyl)-1-phenylpyrazol-5-amine
SMILESCc1cccc(-c2cnn(-c3ccccc3)c2N)c1
InChIInChI=1S/C16H15N3/c1-12-6-5-7-13(10-12)15-11-18-19(16(15)17)14-8-3-2-4-9-14/h2-11H,17H2,1H3
InChIKeySXOAVNSQLUICEW-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.43
Rot. Bonds2

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

4-(3-methylphenyl)-1-phenylpyrazol-5-amine (PubChem CID 2764841) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-(3-methylphenyl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-1-phenylpyrazol-5-amine
PubChem CID2764841
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name4-(3-methylphenyl)-1-phenylpyrazol-5-amine
SMILESCc1cccc(-c2cnn(-c3ccccc3)c2N)c1
InChIInChI=1S/C16H15N3/c1-12-6-5-7-13(10-12)15-11-18-19(16(15)17)14-8-3-2-4-9-14/h2-11H,17H2,1H3
InChIKeySXOAVNSQLUICEW-UHFFFAOYSA-N
XLogP3.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-1-phenylpyrazol-5-amine?
The IUPAC name of 4-(3-methylphenyl)-1-phenylpyrazol-5-amine (CID 2764841) is 4-(3-methylphenyl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-(3-methylphenyl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-(3-methylphenyl)-1-phenylpyrazol-5-amine is Cc1cccc(-c2cnn(-c3ccccc3)c2N)c1.
What is the InChIKey of 4-(3-methylphenyl)-1-phenylpyrazol-5-amine?
The InChIKey is SXOAVNSQLUICEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12-6-5-7-13(10-12)15-11-18-19(16(15)17)14-8-3-2-4-9-14/h2-11H,17H2,1H3.
What are the key properties of 4-(3-methylphenyl)-1-phenylpyrazol-5-amine?
4-(3-methylphenyl)-1-phenylpyrazol-5-amine has a molecular weight of 249.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 2764841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).