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

C8H11N3O2 — CID 22925257

IUPACN-ethyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide
SMILESCCNC(=O)CC(=O)c1cn[nH]c1
InChIInChI=1S/C8H11N3O2/c1-2-9-8(13)3-7(12)6-4-10-11-5-6/h4-5H,2-3H2,1H3,(H,9,13)(H,10,11)
InChIKeyNGXDQKWDRVJTGD-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.12
Rot. Bonds4

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

N-ethyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 22925257) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is N-ethyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide
PubChem CID22925257
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC NameN-ethyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide
SMILESCCNC(=O)CC(=O)c1cn[nH]c1
InChIInChI=1S/C8H11N3O2/c1-2-9-8(13)3-7(12)6-4-10-11-5-6/h4-5H,2-3H2,1H3,(H,9,13)(H,10,11)
InChIKeyNGXDQKWDRVJTGD-UHFFFAOYSA-N
XLogP0.12
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.12
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-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide
CID 22925181
1-(1H-pyrazol-4-yl)propan-1-one
CID 59363533
ethyl 3-oxo-3-(1H-pyrazol-4-yl)propanoate
CID 22925068
N-methyl-1H-pyrazole-4-carboxamide;propane
CID 155700970
N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464248
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 61041491
N-(2-ethoxypropyl)-1H-pyrazole-4-carboxamide
CID 115649315
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide
CID 64991887
ethyl 1H-pyrazole-4-carboxylate;molecular hydrogen
CID 164534260
[4-(ethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 60818050
N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide
CID 106285778

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-ethyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide (CID 22925257) is N-ethyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-ethyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-ethyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide is CCNC(=O)CC(=O)c1cn[nH]c1.
What is the InChIKey of N-ethyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is NGXDQKWDRVJTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-9-8(13)3-7(12)6-4-10-11-5-6/h4-5H,2-3H2,1H3,(H,9,13)(H,10,11).
What are the key properties of N-ethyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide?
N-ethyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 181.20 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 22925257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).