3-(4-aminophenyl)-1-(2-methylphenyl)pyrazol-5-amine

C16H16N4 — CID 778714

IUPAC3-(4-aminophenyl)-1-(2-methylphenyl)pyrazol-5-amine
SMILESCc1ccccc1-n1nc(-c2ccc(N)cc2)cc1N
InChIInChI=1S/C16H16N4/c1-11-4-2-3-5-15(11)20-16(18)10-14(19-20)12-6-8-13(17)9-7-12/h2-10H,17-18H2,1H3
InChIKeyCKGROBWLHOZPKN-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.01
Rot. Bonds2

About 3-(4-aminophenyl)-1-(2-methylphenyl)pyrazol-5-amine

3-(4-aminophenyl)-1-(2-methylphenyl)pyrazol-5-amine (PubChem CID 778714) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-(2-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-(2-methylphenyl)pyrazol-5-amine
PubChem CID778714
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name3-(4-aminophenyl)-1-(2-methylphenyl)pyrazol-5-amine
SMILESCc1ccccc1-n1nc(-c2ccc(N)cc2)cc1N
InChIInChI=1S/C16H16N4/c1-11-4-2-3-5-15(11)20-16(18)10-14(19-20)12-6-8-13(17)9-7-12/h2-10H,17-18H2,1H3
InChIKeyCKGROBWLHOZPKN-UHFFFAOYSA-N
XLogP3.01
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-(2-methylphenyl)pyrazol-5-amine?
The IUPAC name of 3-(4-aminophenyl)-1-(2-methylphenyl)pyrazol-5-amine (CID 778714) is 3-(4-aminophenyl)-1-(2-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(4-aminophenyl)-1-(2-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 3-(4-aminophenyl)-1-(2-methylphenyl)pyrazol-5-amine is Cc1ccccc1-n1nc(-c2ccc(N)cc2)cc1N.
What is the InChIKey of 3-(4-aminophenyl)-1-(2-methylphenyl)pyrazol-5-amine?
The InChIKey is CKGROBWLHOZPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-4-2-3-5-15(11)20-16(18)10-14(19-20)12-6-8-13(17)9-7-12/h2-10H,17-18H2,1H3.
What are the key properties of 3-(4-aminophenyl)-1-(2-methylphenyl)pyrazol-5-amine?
3-(4-aminophenyl)-1-(2-methylphenyl)pyrazol-5-amine has a molecular weight of 264.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-(2-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 778714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).