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

C11H14ClN3 — CID 118377536

IUPAC[4-(1-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride
SMILESCl.Cn1ccc(-c2ccc(CN)cc2)n1
InChIInChI=1S/C11H13N3.ClH/c1-14-7-6-11(13-14)10-4-2-9(8-12)3-5-10;/h2-7H,8,12H2,1H3;1H
InChIKeySNCXGDZOBJHERS-UHFFFAOYSA-N
MW223.71 g/mol
LogP1.97
Rot. Bonds2

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

[4-(1-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride (PubChem CID 118377536) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is [4-(1-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(1-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride
PubChem CID118377536
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name[4-(1-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride
SMILESCl.Cn1ccc(-c2ccc(CN)cc2)n1
InChIInChI=1S/C11H13N3.ClH/c1-14-7-6-11(13-14)10-4-2-9(8-12)3-5-10;/h2-7H,8,12H2,1H3;1H
InChIKeySNCXGDZOBJHERS-UHFFFAOYSA-N
XLogP1.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(1-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride 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 [4-(1-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-(1-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride (CID 118377536) is [4-(1-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(1-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(1-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride is Cl.Cn1ccc(-c2ccc(CN)cc2)n1.
What is the InChIKey of [4-(1-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride?
The InChIKey is SNCXGDZOBJHERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.ClH/c1-14-7-6-11(13-14)10-4-2-9(8-12)3-5-10;/h2-7H,8,12H2,1H3;1H.
What are the key properties of [4-(1-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride?
[4-(1-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride has a molecular weight of 223.71 g/mol, XLogP of 1.97, 2 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)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 118377536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).