2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propan-1-ol;dihydrochloride

C8H17Cl2N3O — CID 91662899

IUPAC2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propan-1-ol;dihydrochloride
SMILESCl.Cl.Cn1cc(CC(CN)CO)cn1
InChIInChI=1S/C8H15N3O.2ClH/c1-11-5-8(4-10-11)2-7(3-9)6-12;;/h4-5,7,12H,2-3,6,9H2,1H3;2*1H
InChIKeyFGCSBKSWPHQNAT-UHFFFAOYSA-N
MW242.15 g/mol
LogP0.37
Rot. Bonds4

About 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propan-1-ol;dihydrochloride

2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propan-1-ol;dihydrochloride (PubChem CID 91662899) has the molecular formula C8H17Cl2N3O and a molecular weight of 242.15 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propan-1-ol;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propan-1-ol;dihydrochloride
PubChem CID91662899
Molecular FormulaC8H17Cl2N3O
Molecular Weight242.15 g/mol
Exact Mass241.07
IUPAC Name2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propan-1-ol;dihydrochloride
SMILESCl.Cl.Cn1cc(CC(CN)CO)cn1
InChIInChI=1S/C8H15N3O.2ClH/c1-11-5-8(4-10-11)2-7(3-9)6-12;;/h4-5,7,12H,2-3,6,9H2,1H3;2*1H
InChIKeyFGCSBKSWPHQNAT-UHFFFAOYSA-N
XLogP0.37
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propan-1-ol;dihydrochloride 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-(aminomethyl)-3-(1-methylpyrazol-4-yl)propan-1-ol;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propan-1-ol;dihydrochloride (CID 91662899) is 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propan-1-ol;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propan-1-ol;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propan-1-ol;dihydrochloride is Cl.Cl.Cn1cc(CC(CN)CO)cn1.
What is the InChIKey of 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propan-1-ol;dihydrochloride?
The InChIKey is FGCSBKSWPHQNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.2ClH/c1-11-5-8(4-10-11)2-7(3-9)6-12;;/h4-5,7,12H,2-3,6,9H2,1H3;2*1H.
What are the key properties of 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propan-1-ol;dihydrochloride?
2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propan-1-ol;dihydrochloride has a molecular weight of 242.15 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propan-1-ol;dihydrochloride is sourced from PubChem (CID 91662899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).