[3-(1-methylpyrazol-4-yl)phenyl]methanamine

C11H13N3 — CID 61033657

IUPAC[3-(1-methylpyrazol-4-yl)phenyl]methanamine
SMILESCn1cc(-c2cccc(CN)c2)cn1
InChIInChI=1S/C11H13N3/c1-14-8-11(7-13-14)10-4-2-3-9(5-10)6-12/h2-5,7-8H,6,12H2,1H3
InChIKeyZGRQVGOBMMJNSV-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.55
Rot. Bonds2

About [3-(1-methylpyrazol-4-yl)phenyl]methanamine

[3-(1-methylpyrazol-4-yl)phenyl]methanamine (PubChem CID 61033657) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is [3-(1-methylpyrazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(1-methylpyrazol-4-yl)phenyl]methanamine
PubChem CID61033657
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name[3-(1-methylpyrazol-4-yl)phenyl]methanamine
SMILESCn1cc(-c2cccc(CN)c2)cn1
InChIInChI=1S/C11H13N3/c1-14-8-11(7-13-14)10-4-2-3-9(5-10)6-12/h2-5,7-8H,6,12H2,1H3
InChIKeyZGRQVGOBMMJNSV-UHFFFAOYSA-N
XLogP1.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(1-methylpyrazol-4-yl)phenyl]methanamine 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-(1-methylpyrazol-4-yl)phenyl]methanamine?
The IUPAC name of [3-(1-methylpyrazol-4-yl)phenyl]methanamine (CID 61033657) is [3-(1-methylpyrazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [3-(1-methylpyrazol-4-yl)phenyl]methanamine?
The canonical SMILES for [3-(1-methylpyrazol-4-yl)phenyl]methanamine is Cn1cc(-c2cccc(CN)c2)cn1.
What is the InChIKey of [3-(1-methylpyrazol-4-yl)phenyl]methanamine?
The InChIKey is ZGRQVGOBMMJNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-14-8-11(7-13-14)10-4-2-3-9(5-10)6-12/h2-5,7-8H,6,12H2,1H3.
What are the key properties of [3-(1-methylpyrazol-4-yl)phenyl]methanamine?
[3-(1-methylpyrazol-4-yl)phenyl]methanamine has a molecular weight of 187.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 61033657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).