(1S)-1-(1-methylpyrazol-4-yl)ethanamine;hydrochloride

C6H12ClN3 — CID 154727281

IUPAC(1S)-1-(1-methylpyrazol-4-yl)ethanamine;hydrochloride
SMILESC[C@H](N)c1cnn(C)c1.Cl
InChIInChI=1S/C6H11N3.ClH/c1-5(7)6-3-8-9(2)4-6;/h3-5H,7H2,1-2H3;1H/t5-;/m0./s1
InChIKeyKRCFGJPYGKFYQB-JEDNCBNOSA-N
MW161.64 g/mol
LogP0.86
Rot. Bonds1

About (1S)-1-(1-methylpyrazol-4-yl)ethanamine;hydrochloride

(1S)-1-(1-methylpyrazol-4-yl)ethanamine;hydrochloride (PubChem CID 154727281) has the molecular formula C6H12ClN3 and a molecular weight of 161.64 g/mol. Its IUPAC name is (1S)-1-(1-methylpyrazol-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(1-methylpyrazol-4-yl)ethanamine;hydrochloride
PubChem CID154727281
Molecular FormulaC6H12ClN3
Molecular Weight161.64 g/mol
Exact Mass161.07
IUPAC Name(1S)-1-(1-methylpyrazol-4-yl)ethanamine;hydrochloride
SMILESC[C@H](N)c1cnn(C)c1.Cl
InChIInChI=1S/C6H11N3.ClH/c1-5(7)6-3-8-9(2)4-6;/h3-5H,7H2,1-2H3;1H/t5-;/m0./s1
InChIKeyKRCFGJPYGKFYQB-JEDNCBNOSA-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 (1S)-1-(1-methylpyrazol-4-yl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(1-methylpyrazol-4-yl)ethanamine;hydrochloride (CID 154727281) is (1S)-1-(1-methylpyrazol-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(1-methylpyrazol-4-yl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(1-methylpyrazol-4-yl)ethanamine;hydrochloride is C[C@H](N)c1cnn(C)c1.Cl.
What is the InChIKey of (1S)-1-(1-methylpyrazol-4-yl)ethanamine;hydrochloride?
The InChIKey is KRCFGJPYGKFYQB-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H11N3.ClH/c1-5(7)6-3-8-9(2)4-6;/h3-5H,7H2,1-2H3;1H/t5-;/m0./s1.
What are the key properties of (1S)-1-(1-methylpyrazol-4-yl)ethanamine;hydrochloride?
(1S)-1-(1-methylpyrazol-4-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 (1S)-1-(1-methylpyrazol-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 154727281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).