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

C8H16ClN3 — CID 6603359

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine;hydrochloride
SMILESCNCCc1c(C)n[nH]c1C.Cl
InChIInChI=1S/C8H15N3.ClH/c1-6-8(4-5-9-3)7(2)11-10-6;/h9H,4-5H2,1-3H3,(H,10,11);1H
InChIKeyKJUJVTBMGDNUCF-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.21
Rot. Bonds3

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine;hydrochloride (PubChem CID 6603359) has the molecular formula C8H16ClN3 and a molecular weight of 189.69 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine;hydrochloride
PubChem CID6603359
Molecular FormulaC8H16ClN3
Molecular Weight189.69 g/mol
Exact Mass189.10
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine;hydrochloride
SMILESCNCCc1c(C)n[nH]c1C.Cl
InChIInChI=1S/C8H15N3.ClH/c1-6-8(4-5-9-3)7(2)11-10-6;/h9H,4-5H2,1-3H3,(H,10,11);1H
InChIKeyKJUJVTBMGDNUCF-UHFFFAOYSA-N
XLogP1.21
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine;hydrochloride?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine;hydrochloride (CID 6603359) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine;hydrochloride is CNCCc1c(C)n[nH]c1C.Cl.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine;hydrochloride?
The InChIKey is KJUJVTBMGDNUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.ClH/c1-6-8(4-5-9-3)7(2)11-10-6;/h9H,4-5H2,1-3H3,(H,10,11);1H.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine;hydrochloride?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine;hydrochloride has a molecular weight of 189.69 g/mol, XLogP of 1.21, 3 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)-N-methylethanamine;hydrochloride is sourced from PubChem (CID 6603359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).