2-methyl-6-(1H-pyrazol-5-yl)aniline

C10H11N3 — CID 118989265

IUPAC2-methyl-6-(1H-pyrazol-5-yl)aniline
SMILESCc1cccc(-c2ccn[nH]2)c1N
InChIInChI=1S/C10H11N3/c1-7-3-2-4-8(10(7)11)9-5-6-12-13-9/h2-6H,11H2,1H3,(H,12,13)
InChIKeyGYTCGCWYQAKETG-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.97
Rot. Bonds1

About 2-methyl-6-(1H-pyrazol-5-yl)aniline

2-methyl-6-(1H-pyrazol-5-yl)aniline (PubChem CID 118989265) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-methyl-6-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound Name2-methyl-6-(1H-pyrazol-5-yl)aniline
PubChem CID118989265
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-methyl-6-(1H-pyrazol-5-yl)aniline
SMILESCc1cccc(-c2ccn[nH]2)c1N
InChIInChI=1S/C10H11N3/c1-7-3-2-4-8(10(7)11)9-5-6-12-13-9/h2-6H,11H2,1H3,(H,12,13)
InChIKeyGYTCGCWYQAKETG-UHFFFAOYSA-N
XLogP1.97
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-6-(1H-pyrazol-5-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1H-pyrazol-5-yl)aniline?
The IUPAC name of 2-methyl-6-(1H-pyrazol-5-yl)aniline (CID 118989265) is 2-methyl-6-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for 2-methyl-6-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for 2-methyl-6-(1H-pyrazol-5-yl)aniline is Cc1cccc(-c2ccn[nH]2)c1N.
What is the InChIKey of 2-methyl-6-(1H-pyrazol-5-yl)aniline?
The InChIKey is GYTCGCWYQAKETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-7-3-2-4-8(10(7)11)9-5-6-12-13-9/h2-6H,11H2,1H3,(H,12,13).
What are the key properties of 2-methyl-6-(1H-pyrazol-5-yl)aniline?
2-methyl-6-(1H-pyrazol-5-yl)aniline has a molecular weight of 173.22 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 118989265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).