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

C16H15N3 — CID 854142

IUPAC3-(4-methylphenyl)-1-phenylpyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H15N3/c1-12-7-9-13(10-8-12)15-11-16(17)19(18-15)14-5-3-2-4-6-14/h2-11H,17H2,1H3
InChIKeyWMJZITXAXMNGCH-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.43
Rot. Bonds2

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

3-(4-methylphenyl)-1-phenylpyrazol-5-amine (PubChem CID 854142) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-phenylpyrazol-5-amine
PubChem CID854142
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name3-(4-methylphenyl)-1-phenylpyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H15N3/c1-12-7-9-13(10-8-12)15-11-16(17)19(18-15)14-5-3-2-4-6-14/h2-11H,17H2,1H3
InChIKeyWMJZITXAXMNGCH-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 3-(4-methylphenyl)-1-phenylpyrazol-5-amine?
The IUPAC name of 3-(4-methylphenyl)-1-phenylpyrazol-5-amine (CID 854142) is 3-(4-methylphenyl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(4-methylphenyl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-(4-methylphenyl)-1-phenylpyrazol-5-amine is Cc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-phenylpyrazol-5-amine?
The InChIKey is WMJZITXAXMNGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12-7-9-13(10-8-12)15-11-16(17)19(18-15)14-5-3-2-4-6-14/h2-11H,17H2,1H3.
What are the key properties of 3-(4-methylphenyl)-1-phenylpyrazol-5-amine?
3-(4-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 3-(4-methylphenyl)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 854142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).