N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide

C8H8N4O2 — CID 110470623

IUPACN-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C8H8N4O2/c1-5(13)2-7(14)11-8-6(3-9)4-10-12-8/h4H,2H2,1H3,(H2,10,11,12,14)
InChIKeyXOUQNFRJWGDJBO-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.20
Rot. Bonds3

About N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide

N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide (PubChem CID 110470623) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide
PubChem CID110470623
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C8H8N4O2/c1-5(13)2-7(14)11-8-6(3-9)4-10-12-8/h4H,2H2,1H3,(H2,10,11,12,14)
InChIKeyXOUQNFRJWGDJBO-UHFFFAOYSA-N
XLogP0.20
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-cyano-1H-pyrazol-5-yl)-1,1-diethylurea
CID 79503578
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N-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
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1-butyl-3-(4-cyano-1H-pyrazol-5-yl)urea
CID 79503092
2-methylpropyl N-(4-cyano-1H-pyrazol-5-yl)carbamate
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3-[3-[acetyl(ethyl)amino]phenyl]-N-(4-cyano-1H-pyrazol-5-yl)-3-oxopropanamide
CID 169436964
N-(4-cyano-1H-pyrazol-5-yl)-3-methylimidazole-4-carboxamide
CID 103510956
N-(4-cyano-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107001533
N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide
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4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide
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N-(4-cyano-1H-pyrazol-5-yl)-3-(3-methylphenoxy)propanamide
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CID 171984736

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide (CID 110470623) is N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide is CC(=O)CC(=O)Nc1[nH]ncc1C#N.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide?
The InChIKey is XOUQNFRJWGDJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-5(13)2-7(14)11-8-6(3-9)4-10-12-8/h4H,2H2,1H3,(H2,10,11,12,14).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide?
N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide has a molecular weight of 192.18 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide is sourced from PubChem (CID 110470623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).