1-ethyl-3-methylpyrazol-4-amine;hydrochloride

C6H12ClN3 — CID 45156280

IUPAC1-ethyl-3-methylpyrazol-4-amine;hydrochloride
SMILESCCn1cc(N)c(C)n1.Cl
InChIInChI=1S/C6H11N3.ClH/c1-3-9-4-6(7)5(2)8-9;/h4H,3,7H2,1-2H3;1H
InChIKeyLBWIPMKVKGUOMW-UHFFFAOYSA-N
MW161.64 g/mol
LogP1.22
Rot. Bonds1

About 1-ethyl-3-methylpyrazol-4-amine;hydrochloride

1-ethyl-3-methylpyrazol-4-amine;hydrochloride (PubChem CID 45156280) has the molecular formula C6H12ClN3 and a molecular weight of 161.64 g/mol. Its IUPAC name is 1-ethyl-3-methylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-ethyl-3-methylpyrazol-4-amine;hydrochloride
PubChem CID45156280
Molecular FormulaC6H12ClN3
Molecular Weight161.64 g/mol
Exact Mass161.07
IUPAC Name1-ethyl-3-methylpyrazol-4-amine;hydrochloride
SMILESCCn1cc(N)c(C)n1.Cl
InChIInChI=1S/C6H11N3.ClH/c1-3-9-4-6(7)5(2)8-9;/h4H,3,7H2,1-2H3;1H
InChIKeyLBWIPMKVKGUOMW-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1-ethyl-3-methylpyrazol-4-amine;hydrochloride (CID 45156280) is 1-ethyl-3-methylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-ethyl-3-methylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-ethyl-3-methylpyrazol-4-amine;hydrochloride is CCn1cc(N)c(C)n1.Cl.
What is the InChIKey of 1-ethyl-3-methylpyrazol-4-amine;hydrochloride?
The InChIKey is LBWIPMKVKGUOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.ClH/c1-3-9-4-6(7)5(2)8-9;/h4H,3,7H2,1-2H3;1H.
What are the key properties of 1-ethyl-3-methylpyrazol-4-amine;hydrochloride?
1-ethyl-3-methylpyrazol-4-amine;hydrochloride has a molecular weight of 161.64 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 45156280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).