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

C17H17N3 — CID 2517678

IUPAC3-(4-ethylphenyl)-1-phenylpyrazol-5-amine
SMILESCCc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H17N3/c1-2-13-8-10-14(11-9-13)16-12-17(18)20(19-16)15-6-4-3-5-7-15/h3-12H,2,18H2,1H3
InChIKeyFJEMXJKQJNWHPQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.68
Rot. Bonds3

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

3-(4-ethylphenyl)-1-phenylpyrazol-5-amine (PubChem CID 2517678) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-phenylpyrazol-5-amine
PubChem CID2517678
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name3-(4-ethylphenyl)-1-phenylpyrazol-5-amine
SMILESCCc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H17N3/c1-2-13-8-10-14(11-9-13)16-12-17(18)20(19-16)15-6-4-3-5-7-15/h3-12H,2,18H2,1H3
InChIKeyFJEMXJKQJNWHPQ-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-phenylpyrazol-5-amine?
The IUPAC name of 3-(4-ethylphenyl)-1-phenylpyrazol-5-amine (CID 2517678) is 3-(4-ethylphenyl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(4-ethylphenyl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-(4-ethylphenyl)-1-phenylpyrazol-5-amine is CCc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-phenylpyrazol-5-amine?
The InChIKey is FJEMXJKQJNWHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-13-8-10-14(11-9-13)16-12-17(18)20(19-16)15-6-4-3-5-7-15/h3-12H,2,18H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-1-phenylpyrazol-5-amine?
3-(4-ethylphenyl)-1-phenylpyrazol-5-amine has a molecular weight of 263.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 2517678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).