2-(4-aminopyrazol-1-yl)-N-methylacetamide;hydrochloride

C6H11ClN4O — CID 50998519

IUPAC2-(4-aminopyrazol-1-yl)-N-methylacetamide;hydrochloride
SMILESCNC(=O)Cn1cc(N)cn1.Cl
InChIInChI=1S/C6H10N4O.ClH/c1-8-6(11)4-10-3-5(7)2-9-10;/h2-3H,4,7H2,1H3,(H,8,11);1H
InChIKeyVQHYDZIVSHAKSG-UHFFFAOYSA-N
MW190.63 g/mol
LogP-0.37
Rot. Bonds2

About 2-(4-aminopyrazol-1-yl)-N-methylacetamide;hydrochloride

2-(4-aminopyrazol-1-yl)-N-methylacetamide;hydrochloride (PubChem CID 50998519) has the molecular formula C6H11ClN4O and a molecular weight of 190.63 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-methylacetamide;hydrochloride
PubChem CID50998519
Molecular FormulaC6H11ClN4O
Molecular Weight190.63 g/mol
Exact Mass190.06
IUPAC Name2-(4-aminopyrazol-1-yl)-N-methylacetamide;hydrochloride
SMILESCNC(=O)Cn1cc(N)cn1.Cl
InChIInChI=1S/C6H10N4O.ClH/c1-8-6(11)4-10-3-5(7)2-9-10;/h2-3H,4,7H2,1H3,(H,8,11);1H
InChIKeyVQHYDZIVSHAKSG-UHFFFAOYSA-N
XLogP-0.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-methylacetamide;hydrochloride?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-methylacetamide;hydrochloride (CID 50998519) is 2-(4-aminopyrazol-1-yl)-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-methylacetamide;hydrochloride is CNC(=O)Cn1cc(N)cn1.Cl.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-methylacetamide;hydrochloride?
The InChIKey is VQHYDZIVSHAKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O.ClH/c1-8-6(11)4-10-3-5(7)2-9-10;/h2-3H,4,7H2,1H3,(H,8,11);1H.
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-methylacetamide;hydrochloride?
2-(4-aminopyrazol-1-yl)-N-methylacetamide;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 50998519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).