N-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide

C7H9N3O2 — CID 22925181

IUPACN-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide
SMILESCNC(=O)CC(=O)c1cn[nH]c1
InChIInChI=1S/C7H9N3O2/c1-8-7(12)2-6(11)5-3-9-10-4-5/h3-4H,2H2,1H3,(H,8,12)(H,9,10)
InChIKeyLBVCWFUXKKDHMS-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.27
Rot. Bonds3

About N-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide

N-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 22925181) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide
PubChem CID22925181
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide
SMILESCNC(=O)CC(=O)c1cn[nH]c1
InChIInChI=1S/C7H9N3O2/c1-8-7(12)2-6(11)5-3-9-10-4-5/h3-4H,2H2,1H3,(H,8,12)(H,9,10)
InChIKeyLBVCWFUXKKDHMS-UHFFFAOYSA-N
XLogP-0.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide
CID 22925257
N-methyl-1H-pyrazole-4-carboxamide;propane
CID 155700970
1-(1H-pyrazol-4-yl)propan-1-one
CID 59363533
ethyl 3-oxo-3-(1H-pyrazol-4-yl)propanoate
CID 22925068
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 61041491
N-methyl-1-(1H-pyrazol-4-yl)ethenamine
CID 134288911
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-(methoxymethyl)-1H-pyrazole-4-carboxamide
CID 154047785
(3Z)-4-methyl-3-[methylamino(1H-pyrazol-4-yl)methylidene]pentan-2-one
CID 144700339
1H-pyrazole-4-carboxylate
CID 7004927
2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone
CID 130573080
N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide
CID 130661028

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide (CID 22925181) is N-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide is CNC(=O)CC(=O)c1cn[nH]c1.
What is the InChIKey of N-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is LBVCWFUXKKDHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-8-7(12)2-6(11)5-3-9-10-4-5/h3-4H,2H2,1H3,(H,8,12)(H,9,10).
What are the key properties of N-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide?
N-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 167.17 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 22925181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).