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

C7H14ClN3 — CID 6603655

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;hydrochloride
SMILESCc1n[nH]c(C)c1CCN.Cl
InChIInChI=1S/C7H13N3.ClH/c1-5-7(3-4-8)6(2)10-9-5;/h3-4,8H2,1-2H3,(H,9,10);1H
InChIKeyQLKMMTQYHWZUKR-UHFFFAOYSA-N
MW175.66 g/mol
LogP0.95
Rot. Bonds2

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;hydrochloride (PubChem CID 6603655) has the molecular formula C7H14ClN3 and a molecular weight of 175.66 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;hydrochloride
PubChem CID6603655
Molecular FormulaC7H14ClN3
Molecular Weight175.66 g/mol
Exact Mass175.09
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;hydrochloride
SMILESCc1n[nH]c(C)c1CCN.Cl
InChIInChI=1S/C7H13N3.ClH/c1-5-7(3-4-8)6(2)10-9-5;/h3-4,8H2,1-2H3,(H,9,10);1H
InChIKeyQLKMMTQYHWZUKR-UHFFFAOYSA-N
XLogP0.95
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 50.95
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)ethan-1-amine dihydrochloride
CID 17368230
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine;hydrochloride
CID 6603359
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;hydrochloride?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;hydrochloride (CID 6603655) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;hydrochloride is Cc1n[nH]c(C)c1CCN.Cl.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;hydrochloride?
The InChIKey is QLKMMTQYHWZUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.ClH/c1-5-7(3-4-8)6(2)10-9-5;/h3-4,8H2,1-2H3,(H,9,10);1H.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;hydrochloride?
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 0.95, 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;hydrochloride is sourced from PubChem (CID 6603655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).