3-(5-oxo-1,2-dihydropyrazol-3-yl)propanamide

C6H9N3O2 — CID 91308828

IUPAC3-(5-oxo-1,2-dihydropyrazol-3-yl)propanamide
SMILESNC(=O)CCc1cc(=O)[nH][nH]1
InChIInChI=1S/C6H9N3O2/c7-5(10)2-1-4-3-6(11)9-8-4/h3H,1-2H2,(H2,7,10)(H2,8,9,11)
InChIKeyVBFGZVNYDNEHSI-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.88
Rot. Bonds3

About 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanamide

3-(5-oxo-1,2-dihydropyrazol-3-yl)propanamide (PubChem CID 91308828) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(5-oxo-1,2-dihydropyrazol-3-yl)propanamide
PubChem CID91308828
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name3-(5-oxo-1,2-dihydropyrazol-3-yl)propanamide
SMILESNC(=O)CCc1cc(=O)[nH][nH]1
InChIInChI=1S/C6H9N3O2/c7-5(10)2-1-4-3-6(11)9-8-4/h3H,1-2H2,(H2,7,10)(H2,8,9,11)
InChIKeyVBFGZVNYDNEHSI-UHFFFAOYSA-N
XLogP-0.88
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-Oxo-1,2-dihydropyrazol-3-yl)acetohydrazide
CID 322945
5-(3-aminopropyl)-2,3-dihydro-1H-pyrazol-3-one
CID 82418088
5-Propyl-1,2-dihydropyrazol-3-one
CID 4658964
5-Cyclopropyl-1,2-dihydro-3H-pyrazol-3-one
CID 12065262
5-methyl-4-[(Z)-pent-2-enyl]-1,2-dihydropyrazol-3-one
CID 42643979
5-methyl-4-[(E)-pent-2-enyl]-1,2-dihydropyrazol-3-one
CID 42644210
5-butyl-1H-pyrazol-3-ol
CID 4485428
5-ethyl-1H-pyrazol-3-ol
CID 4658963
2-amino-5-butyl-1H-pyrazol-3-one
CID 19424659
4-Allyl-5-methyl-2h-pyrazol-3-ol
CID 44160694
5-Isobutyl-1,2-dihydro-pyrazol-3-one
CID 54446737
1,2,4,7-Tetrahydroindazol-3-one
CID 56616793

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanamide?
The IUPAC name of 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanamide (CID 91308828) is 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanamide?
The canonical SMILES for 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanamide is NC(=O)CCc1cc(=O)[nH][nH]1.
What is the InChIKey of 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanamide?
The InChIKey is VBFGZVNYDNEHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-5(10)2-1-4-3-6(11)9-8-4/h3H,1-2H2,(H2,7,10)(H2,8,9,11).
What are the key properties of 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanamide?
3-(5-oxo-1,2-dihydropyrazol-3-yl)propanamide has a molecular weight of 155.16 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxo-1,2-dihydropyrazol-3-yl)propanamide is sourced from PubChem (CID 91308828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).