3-(1H-pyrazol-5-yl)aniline

C9H9N3 — CID 2735398

IUPAC3-(1H-pyrazol-5-yl)aniline
SMILESNc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C9H9N3/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,10H2,(H,11,12)
InChIKeySXPNWQIDNWGAEB-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.66
Rot. Bonds1

About 3-(1H-pyrazol-5-yl)aniline

3-(1H-pyrazol-5-yl)aniline (PubChem CID 2735398) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)aniline
PubChem CID2735398
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name3-(1H-pyrazol-5-yl)aniline
SMILESNc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C9H9N3/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,10H2,(H,11,12)
InChIKeySXPNWQIDNWGAEB-UHFFFAOYSA-N
XLogP1.66
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(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 3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of 3-(1H-pyrazol-5-yl)aniline (CID 2735398) is 3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for 3-(1H-pyrazol-5-yl)aniline is Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 3-(1H-pyrazol-5-yl)aniline?
The InChIKey is SXPNWQIDNWGAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,10H2,(H,11,12).
What are the key properties of 3-(1H-pyrazol-5-yl)aniline?
3-(1H-pyrazol-5-yl)aniline has a molecular weight of 159.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 2735398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).