2-amino-1-pyrazol-1-ylpropan-1-one

C6H9N3O — CID 76503480

IUPAC2-amino-1-pyrazol-1-ylpropan-1-one
SMILESCC(N)C(=O)n1cccn1
InChIInChI=1S/C6H9N3O/c1-5(7)6(10)9-4-2-3-8-9/h2-5H,7H2,1H3
InChIKeyUSWPNRJMBXMIIN-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.13
Rot. Bonds1

About 2-amino-1-pyrazol-1-ylpropan-1-one

2-amino-1-pyrazol-1-ylpropan-1-one (PubChem CID 76503480) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-amino-1-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-pyrazol-1-ylpropan-1-one
PubChem CID76503480
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-amino-1-pyrazol-1-ylpropan-1-one
SMILESCC(N)C(=O)n1cccn1
InChIInChI=1S/C6H9N3O/c1-5(7)6(10)9-4-2-3-8-9/h2-5H,7H2,1H3
InChIKeyUSWPNRJMBXMIIN-UHFFFAOYSA-N
XLogP-0.13
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-pyrazol-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-anilino-1-pyrazol-1-ylpropan-1-one
CID 141299756
2-(butylamino)-1-pyrazol-1-ylpropan-1-one
CID 141299758
N-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide
CID 141081196
4-O-(2-hydroxy-3-oxo-3-pyrazol-1-ylpropyl) 1-O-methyl (E)-but-2-enedioate
CID 122664290
1-methylpyrazole;platinum(2+);propan-2-amine;diacetate
CID 11641044
(2S)-2-pyrazol-1-ylpropanamide
CID 42576360
2-pyrazol-1-ylpropanamide
CID 25248322
4-O-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-pyrazol-1-ylbutyl] 1-O-methyl (E)-but-2-enedioate
CID 122664308
tert-butyl pyrazole-1-carboxylate
CID 14499414
N-methylpyrazole-1-carboxamide;propane
CID 90891150
pyrazole-1-carbothioamide
CID 1480595
N'-(2-methylpropyl)pyrazole-1-carboximidamide;hydrochloride
CID 45261144

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-pyrazol-1-ylpropan-1-one?
The IUPAC name of 2-amino-1-pyrazol-1-ylpropan-1-one (CID 76503480) is 2-amino-1-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 2-amino-1-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 2-amino-1-pyrazol-1-ylpropan-1-one is CC(N)C(=O)n1cccn1.
What is the InChIKey of 2-amino-1-pyrazol-1-ylpropan-1-one?
The InChIKey is USWPNRJMBXMIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-5(7)6(10)9-4-2-3-8-9/h2-5H,7H2,1H3.
What are the key properties of 2-amino-1-pyrazol-1-ylpropan-1-one?
2-amino-1-pyrazol-1-ylpropan-1-one has a molecular weight of 139.16 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 76503480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).