1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride

C6H12ClN3 — CID 130453998

IUPAC1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride
SMILESCC(N)c1ccn(C)n1.Cl
InChIInChI=1S/C6H11N3.ClH/c1-5(7)6-3-4-9(2)8-6;/h3-5H,7H2,1-2H3;1H
InChIKeyFTALNDKZNAEITL-UHFFFAOYSA-N
MW161.64 g/mol
LogP0.86
Rot. Bonds1

About 1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride

1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride (PubChem CID 130453998) has the molecular formula C6H12ClN3 and a molecular weight of 161.64 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride
PubChem CID130453998
Molecular FormulaC6H12ClN3
Molecular Weight161.64 g/mol
Exact Mass161.07
IUPAC Name1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride
SMILESCC(N)c1ccn(C)n1.Cl
InChIInChI=1S/C6H11N3.ClH/c1-5(7)6-3-4-9(2)8-6;/h3-5H,7H2,1-2H3;1H
InChIKeyFTALNDKZNAEITL-UHFFFAOYSA-N
XLogP0.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.64
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride (CID 130453998) is 1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride is CC(N)c1ccn(C)n1.Cl.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride?
The InChIKey is FTALNDKZNAEITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.ClH/c1-5(7)6-3-4-9(2)8-6;/h3-5H,7H2,1-2H3;1H.
What are the key properties of 1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride?
1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride has a molecular weight of 161.64 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 130453998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).