(5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone

C11H12N4O — CID 110462579

IUPAC(5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone
SMILESCc1cc(N)n(C(=O)c2ccc(N)cc2)n1
InChIInChI=1S/C11H12N4O/c1-7-6-10(13)15(14-7)11(16)8-2-4-9(12)5-3-8/h2-6H,12-13H2,1H3
InChIKeyHRKFLMTZFWUFMA-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.04
Rot. Bonds1

About (5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone

(5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone (PubChem CID 110462579) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is (5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone
PubChem CID110462579
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name(5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone
SMILESCc1cc(N)n(C(=O)c2ccc(N)cc2)n1
InChIInChI=1S/C11H12N4O/c1-7-6-10(13)15(14-7)11(16)8-2-4-9(12)5-3-8/h2-6H,12-13H2,1H3
InChIKeyHRKFLMTZFWUFMA-UHFFFAOYSA-N
XLogP1.04
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone?
The IUPAC name of (5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone (CID 110462579) is (5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone.
What is the SMILES notation for (5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone?
The canonical SMILES for (5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone is Cc1cc(N)n(C(=O)c2ccc(N)cc2)n1.
What is the InChIKey of (5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone?
The InChIKey is HRKFLMTZFWUFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-7-6-10(13)15(14-7)11(16)8-2-4-9(12)5-3-8/h2-6H,12-13H2,1H3.
What are the key properties of (5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone?
(5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone has a molecular weight of 216.24 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone is sourced from PubChem (CID 110462579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).