2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;dihydrochloride

C7H15Cl2N3 — CID 17368230

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;dihydrochloride
SMILESCc1n[nH]c(C)c1CCN.Cl.Cl
InChIInChI=1S/C7H13N3.2ClH/c1-5-7(3-4-8)6(2)10-9-5;;/h3-4,8H2,1-2H3,(H,9,10);2*1H
InChIKeyNCSZCMIXBSWWMS-UHFFFAOYSA-N
MW212.12 g/mol
LogP1.37
Rot. Bonds2

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;dihydrochloride

2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;dihydrochloride (PubChem CID 17368230) has the molecular formula C7H15Cl2N3 and a molecular weight of 212.12 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;dihydrochloride
PubChem CID17368230
Molecular FormulaC7H15Cl2N3
Molecular Weight212.12 g/mol
Exact Mass211.06
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;dihydrochloride
SMILESCc1n[nH]c(C)c1CCN.Cl.Cl
InChIInChI=1S/C7H13N3.2ClH/c1-5-7(3-4-8)6(2)10-9-5;;/h3-4,8H2,1-2H3,(H,9,10);2*1H
InChIKeyNCSZCMIXBSWWMS-UHFFFAOYSA-N
XLogP1.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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)-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-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
CID 3136377
3-ethyl-4,5-dimethyl-1H-pyrazole
CID 2753139

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;dihydrochloride (CID 17368230) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;dihydrochloride is Cc1n[nH]c(C)c1CCN.Cl.Cl.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;dihydrochloride?
The InChIKey is NCSZCMIXBSWWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.2ClH/c1-5-7(3-4-8)6(2)10-9-5;;/h3-4,8H2,1-2H3,(H,9,10);2*1H.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;dihydrochloride?
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;dihydrochloride has a molecular weight of 212.12 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 17368230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).