(3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride

C6H13Cl2N3 — CID 45075089

IUPAC(3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride
SMILESCc1n[nH]c(C)c1CN.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-4-6(3-7)5(2)9-8-4;;/h3,7H2,1-2H3,(H,8,9);2*1H
InChIKeyLPMQZRJFDBYDEM-UHFFFAOYSA-N
MW198.10 g/mol
LogP1.33
Rot. Bonds1

About (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride

(3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride (PubChem CID 45075089) has the molecular formula C6H13Cl2N3 and a molecular weight of 198.10 g/mol. Its IUPAC name is (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride
PubChem CID45075089
Molecular FormulaC6H13Cl2N3
Molecular Weight198.10 g/mol
Exact Mass197.05
IUPAC Name(3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride
SMILESCc1n[nH]c(C)c1CN.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-4-6(3-7)5(2)9-8-4;;/h3,7H2,1-2H3,(H,8,9);2*1H
InChIKeyLPMQZRJFDBYDEM-UHFFFAOYSA-N
XLogP1.33
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3,5-dimethyl-1H-pyrazol-4-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

3,4,5-Trimethylpyrazole
CID 138528
4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole
CID 572879
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
CID 650797
3,5-Dimethyl-4-ethylpyrazole
CID 572877
(3,5-Dimethyl-1H-pyrazol-4-yl)methanamine
CID 572718
3,5-Diethyl-4-methylpyrazole
CID 139517
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethan-1-amine dihydrochloride
CID 17368230
[2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethyl]-methyl-amine
CID 6603359
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;hydrochloride
CID 6603655
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 645354
4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole
CID 911572
(1-Hydroxy-3,5-dimethylpyrazol-4-yl)methanamine
CID 71561433

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride?
The IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride (CID 45075089) is (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride.
What is the SMILES notation for (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride?
The canonical SMILES for (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride is Cc1n[nH]c(C)c1CN.Cl.Cl.
What is the InChIKey of (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride?
The InChIKey is LPMQZRJFDBYDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.2ClH/c1-4-6(3-7)5(2)9-8-4;;/h3,7H2,1-2H3,(H,8,9);2*1H.
What are the key properties of (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride?
(3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride has a molecular weight of 198.10 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride is sourced from PubChem (CID 45075089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).