1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-amine

C17H17N3 — CID 83217155

IUPAC1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-amine
SMILESCc1ccc(C)c(-n2cc(N)c(-c3ccccc3)n2)c1
InChIInChI=1S/C17H17N3/c1-12-8-9-13(2)16(10-12)20-11-15(18)17(19-20)14-6-4-3-5-7-14/h3-11H,18H2,1-2H3
InChIKeyZCVDSBWWADBKKY-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.74
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-amine

1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-amine (PubChem CID 83217155) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-amine
PubChem CID83217155
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-amine
SMILESCc1ccc(C)c(-n2cc(N)c(-c3ccccc3)n2)c1
InChIInChI=1S/C17H17N3/c1-12-8-9-13(2)16(10-12)20-11-15(18)17(19-20)14-6-4-3-5-7-14/h3-11H,18H2,1-2H3
InChIKeyZCVDSBWWADBKKY-UHFFFAOYSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-amine (CID 83217155) is 1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-amine is Cc1ccc(C)c(-n2cc(N)c(-c3ccccc3)n2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-amine?
The InChIKey is ZCVDSBWWADBKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-8-9-13(2)16(10-12)20-11-15(18)17(19-20)14-6-4-3-5-7-14/h3-11H,18H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-amine?
1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-amine has a molecular weight of 263.34 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-amine is sourced from PubChem (CID 83217155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).