4-(1-methylpyrazol-3-yl)aniline

C10H11N3 — CID 18526375

IUPAC4-(1-methylpyrazol-3-yl)aniline
SMILESCn1ccc(-c2ccc(N)cc2)n1
InChIInChI=1S/C10H11N3/c1-13-7-6-10(12-13)8-2-4-9(11)5-3-8/h2-7H,11H2,1H3
InChIKeyWEFJHPBVOKVCLZ-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.67
Rot. Bonds1

About 4-(1-methylpyrazol-3-yl)aniline

4-(1-methylpyrazol-3-yl)aniline (PubChem CID 18526375) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-(1-methylpyrazol-3-yl)aniline.

Molecular Properties

Compound Name4-(1-methylpyrazol-3-yl)aniline
PubChem CID18526375
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-(1-methylpyrazol-3-yl)aniline
SMILESCn1ccc(-c2ccc(N)cc2)n1
InChIInChI=1S/C10H11N3/c1-13-7-6-10(12-13)8-2-4-9(11)5-3-8/h2-7H,11H2,1H3
InChIKeyWEFJHPBVOKVCLZ-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
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 4-(1-methylpyrazol-3-yl)aniline?
The IUPAC name of 4-(1-methylpyrazol-3-yl)aniline (CID 18526375) is 4-(1-methylpyrazol-3-yl)aniline.
What is the SMILES notation for 4-(1-methylpyrazol-3-yl)aniline?
The canonical SMILES for 4-(1-methylpyrazol-3-yl)aniline is Cn1ccc(-c2ccc(N)cc2)n1.
What is the InChIKey of 4-(1-methylpyrazol-3-yl)aniline?
The InChIKey is WEFJHPBVOKVCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-13-7-6-10(12-13)8-2-4-9(11)5-3-8/h2-7H,11H2,1H3.
What are the key properties of 4-(1-methylpyrazol-3-yl)aniline?
4-(1-methylpyrazol-3-yl)aniline has a molecular weight of 173.22 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-3-yl)aniline is sourced from PubChem (CID 18526375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).