1-(4-aminophenyl)-2-phenylethanone;4-(1H-pyrazol-5-yl)aniline

C23H22N4O — CID 68644674

IUPAC1-(4-aminophenyl)-2-phenylethanone;4-(1H-pyrazol-5-yl)aniline
SMILESNc1ccc(-c2ccn[nH]2)cc1.Nc1ccc(C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C14H13NO.C9H9N3/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11;10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-9H,10,15H2;1-6H,10H2,(H,11,12)
InChIKeyFISXJWPYDWFDDF-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.35
Rot. Bonds4

About 1-(4-aminophenyl)-2-phenylethanone;4-(1H-pyrazol-5-yl)aniline

1-(4-aminophenyl)-2-phenylethanone;4-(1H-pyrazol-5-yl)aniline (PubChem CID 68644674) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-phenylethanone;4-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-phenylethanone;4-(1H-pyrazol-5-yl)aniline
PubChem CID68644674
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name1-(4-aminophenyl)-2-phenylethanone;4-(1H-pyrazol-5-yl)aniline
SMILESNc1ccc(-c2ccn[nH]2)cc1.Nc1ccc(C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C14H13NO.C9H9N3/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11;10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-9H,10,15H2;1-6H,10H2,(H,11,12)
InChIKeyFISXJWPYDWFDDF-UHFFFAOYSA-N
XLogP4.35
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.35
H-Bond Donors ≤ 53
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 1-(4-aminophenyl)-2-phenylethanone;4-(1H-pyrazol-5-yl)aniline?
The IUPAC name of 1-(4-aminophenyl)-2-phenylethanone;4-(1H-pyrazol-5-yl)aniline (CID 68644674) is 1-(4-aminophenyl)-2-phenylethanone;4-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for 1-(4-aminophenyl)-2-phenylethanone;4-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for 1-(4-aminophenyl)-2-phenylethanone;4-(1H-pyrazol-5-yl)aniline is Nc1ccc(-c2ccn[nH]2)cc1.Nc1ccc(C(=O)Cc2ccccc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-phenylethanone;4-(1H-pyrazol-5-yl)aniline?
The InChIKey is FISXJWPYDWFDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO.C9H9N3/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11;10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-9H,10,15H2;1-6H,10H2,(H,11,12).
What are the key properties of 1-(4-aminophenyl)-2-phenylethanone;4-(1H-pyrazol-5-yl)aniline?
1-(4-aminophenyl)-2-phenylethanone;4-(1H-pyrazol-5-yl)aniline has a molecular weight of 370.46 g/mol, XLogP of 4.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-phenylethanone;4-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 68644674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).