2-(3-methylpyrazol-1-yl)aniline

C10H11N3 — CID 19626895

IUPAC2-(3-methylpyrazol-1-yl)aniline
SMILESCc1ccn(-c2ccccc2N)n1
InChIInChI=1S/C10H11N3/c1-8-6-7-13(12-8)10-5-3-2-4-9(10)11/h2-7H,11H2,1H3
InChIKeyQTXYOEUQPRCCSF-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.76
Rot. Bonds1

About 2-(3-methylpyrazol-1-yl)aniline

2-(3-methylpyrazol-1-yl)aniline (PubChem CID 19626895) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)aniline.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)aniline
PubChem CID19626895
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-(3-methylpyrazol-1-yl)aniline
SMILESCc1ccn(-c2ccccc2N)n1
InChIInChI=1S/C10H11N3/c1-8-6-7-13(12-8)10-5-3-2-4-9(10)11/h2-7H,11H2,1H3
InChIKeyQTXYOEUQPRCCSF-UHFFFAOYSA-N
XLogP1.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)aniline?
The IUPAC name of 2-(3-methylpyrazol-1-yl)aniline (CID 19626895) is 2-(3-methylpyrazol-1-yl)aniline.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)aniline?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)aniline is Cc1ccn(-c2ccccc2N)n1.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)aniline?
The InChIKey is QTXYOEUQPRCCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-8-6-7-13(12-8)10-5-3-2-4-9(10)11/h2-7H,11H2,1H3.
What are the key properties of 2-(3-methylpyrazol-1-yl)aniline?
2-(3-methylpyrazol-1-yl)aniline has a molecular weight of 173.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazol-1-yl)aniline is sourced from PubChem (CID 19626895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).