1-(3-amino-5-methyl-1H-pyrazol-4-yl)ethanone;hydrochloride

C6H10ClN3O — CID 75531071

IUPAC1-(3-amino-5-methyl-1H-pyrazol-4-yl)ethanone;hydrochloride
SMILESCC(=O)c1c(N)n[nH]c1C.Cl
InChIInChI=1S/C6H9N3O.ClH/c1-3-5(4(2)10)6(7)9-8-3;/h1-2H3,(H3,7,8,9);1H
InChIKeyGUXIDHFGRNVXIT-UHFFFAOYSA-N
MW175.62 g/mol
LogP0.92
Rot. Bonds1

About 1-(3-amino-5-methyl-1H-pyrazol-4-yl)ethanone;hydrochloride

1-(3-amino-5-methyl-1H-pyrazol-4-yl)ethanone;hydrochloride (PubChem CID 75531071) has the molecular formula C6H10ClN3O and a molecular weight of 175.62 g/mol. Its IUPAC name is 1-(3-amino-5-methyl-1H-pyrazol-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-amino-5-methyl-1H-pyrazol-4-yl)ethanone;hydrochloride
PubChem CID75531071
Molecular FormulaC6H10ClN3O
Molecular Weight175.62 g/mol
Exact Mass175.05
IUPAC Name1-(3-amino-5-methyl-1H-pyrazol-4-yl)ethanone;hydrochloride
SMILESCC(=O)c1c(N)n[nH]c1C.Cl
InChIInChI=1S/C6H9N3O.ClH/c1-3-5(4(2)10)6(7)9-8-3;/h1-2H3,(H3,7,8,9);1H
InChIKeyGUXIDHFGRNVXIT-UHFFFAOYSA-N
XLogP0.92
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methyl-1H-pyrazol-4-yl)ethanone;hydrochloride?
The IUPAC name of 1-(3-amino-5-methyl-1H-pyrazol-4-yl)ethanone;hydrochloride (CID 75531071) is 1-(3-amino-5-methyl-1H-pyrazol-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(3-amino-5-methyl-1H-pyrazol-4-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(3-amino-5-methyl-1H-pyrazol-4-yl)ethanone;hydrochloride is CC(=O)c1c(N)n[nH]c1C.Cl.
What is the InChIKey of 1-(3-amino-5-methyl-1H-pyrazol-4-yl)ethanone;hydrochloride?
The InChIKey is GUXIDHFGRNVXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.ClH/c1-3-5(4(2)10)6(7)9-8-3;/h1-2H3,(H3,7,8,9);1H.
What are the key properties of 1-(3-amino-5-methyl-1H-pyrazol-4-yl)ethanone;hydrochloride?
1-(3-amino-5-methyl-1H-pyrazol-4-yl)ethanone;hydrochloride has a molecular weight of 175.62 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-methyl-1H-pyrazol-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 75531071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).