(2-methylpyrazol-3-yl)methanamine;dihydrochloride

C5H11Cl2N3 — CID 46735537

IUPAC(2-methylpyrazol-3-yl)methanamine;dihydrochloride
SMILESCl.Cl.Cn1nccc1CN
InChIInChI=1S/C5H9N3.2ClH/c1-8-5(4-6)2-3-7-8;;/h2-3H,4,6H2,1H3;2*1H
InChIKeyIBVDXCPXZDTYHJ-UHFFFAOYSA-N
MW184.07 g/mol
LogP0.72
Rot. Bonds1

About (2-methylpyrazol-3-yl)methanamine;dihydrochloride

(2-methylpyrazol-3-yl)methanamine;dihydrochloride (PubChem CID 46735537) has the molecular formula C5H11Cl2N3 and a molecular weight of 184.07 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)methanamine;dihydrochloride
PubChem CID46735537
Molecular FormulaC5H11Cl2N3
Molecular Weight184.07 g/mol
Exact Mass183.03
IUPAC Name(2-methylpyrazol-3-yl)methanamine;dihydrochloride
SMILESCl.Cl.Cn1nccc1CN
InChIInChI=1S/C5H9N3.2ClH/c1-8-5(4-6)2-3-7-8;;/h2-3H,4,6H2,1H3;2*1H
InChIKeyIBVDXCPXZDTYHJ-UHFFFAOYSA-N
XLogP0.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-methylpyrazol-3-yl)methanamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Pyrazole, 1,3-dimethyl-
CID 79096
(1-Methyl-1H-pyrazol-5-yl)methanamine
CID 7019421
1,5-Dimethylpyrazole
CID 136502
N-Hydroxymethyl-3-methylpyrazole
CID 127159
(1,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 818472
3-(Chloromethyl)-1-methyl-1H-pyrazole
CID 423923
1,5-dimethyl-1H-pyrazol-4-amine
CID 573813
1-(2-Chloroethyl)-3-methyl-1H-pyrazole
CID 13764853
1-Methyl-5-(trifluoromethyl)-1H-pyrazole
CID 15420922
3-Ethenyl-1,2-dimethylpyrazol-1-ium
CID 170067118
1-Ethyl-N-methyl-1H-pyrazole-5-methanamine
CID 672403
1,3-dimethyl-1H-pyrazol-4-amine hydrochloride
CID 12687197

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)methanamine;dihydrochloride?
The IUPAC name of (2-methylpyrazol-3-yl)methanamine;dihydrochloride (CID 46735537) is (2-methylpyrazol-3-yl)methanamine;dihydrochloride.
What is the SMILES notation for (2-methylpyrazol-3-yl)methanamine;dihydrochloride?
The canonical SMILES for (2-methylpyrazol-3-yl)methanamine;dihydrochloride is Cl.Cl.Cn1nccc1CN.
What is the InChIKey of (2-methylpyrazol-3-yl)methanamine;dihydrochloride?
The InChIKey is IBVDXCPXZDTYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.2ClH/c1-8-5(4-6)2-3-7-8;;/h2-3H,4,6H2,1H3;2*1H.
What are the key properties of (2-methylpyrazol-3-yl)methanamine;dihydrochloride?
(2-methylpyrazol-3-yl)methanamine;dihydrochloride has a molecular weight of 184.07 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)methanamine;dihydrochloride is sourced from PubChem (CID 46735537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).