2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride

C9H17ClN4O — CID 130639181

IUPAC2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride
SMILESCCn1nc(C)c(NC(=O)CN)c1C.Cl
InChIInChI=1S/C9H16N4O.ClH/c1-4-13-7(3)9(6(2)12-13)11-8(14)5-10;/h4-5,10H2,1-3H3,(H,11,14);1H
InChIKeyLHBYNBWDRJYCPW-UHFFFAOYSA-N
MW232.71 g/mol
LogP0.84
Rot. Bonds3

About 2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride

2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride (PubChem CID 130639181) has the molecular formula C9H17ClN4O and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride
PubChem CID130639181
Molecular FormulaC9H17ClN4O
Molecular Weight232.71 g/mol
Exact Mass232.11
IUPAC Name2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride
SMILESCCn1nc(C)c(NC(=O)CN)c1C.Cl
InChIInChI=1S/C9H16N4O.ClH/c1-4-13-7(3)9(6(2)12-13)11-8(14)5-10;/h4-5,10H2,1-3H3,(H,11,14);1H
InChIKeyLHBYNBWDRJYCPW-UHFFFAOYSA-N
XLogP0.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 19620454
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CID 841537
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(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
CID 39854323
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride (CID 130639181) is 2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride is CCn1nc(C)c(NC(=O)CN)c1C.Cl.
What is the InChIKey of 2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride?
The InChIKey is LHBYNBWDRJYCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O.ClH/c1-4-13-7(3)9(6(2)12-13)11-8(14)5-10;/h4-5,10H2,1-3H3,(H,11,14);1H.
What are the key properties of 2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride?
2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride has a molecular weight of 232.71 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 130639181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).