1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea

C12H14N4O2 — CID 131879882

IUPAC1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea
SMILESCCNC(=O)NC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C12H14N4O2/c1-2-13-12(18)14-10-8-11(17)16(15-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,13,14,15,18)
InChIKeyAFYXATUJOKVWTB-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.06
Rot. Bonds2

About 1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea

1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea (PubChem CID 131879882) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea
PubChem CID131879882
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea
SMILESCCNC(=O)NC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C12H14N4O2/c1-2-13-12(18)14-10-8-11(17)16(15-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,13,14,15,18)
InChIKeyAFYXATUJOKVWTB-UHFFFAOYSA-N
XLogP1.06
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_B(4)', 'substructure': 'N/A'}

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Related Compounds

N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2,2-diphenylacetamide
CID 17341544
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide
CID 131880242
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-piperidin-1-ylacetamide
CID 25020981
4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide
CID 4086322
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 17341539
2-[(4-methylphenyl)methylsulfanyl]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
CID 17341604
2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide
CID 17341637
2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
CID 17341526
N-[1-(4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetamide
CID 131879928
5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide
CID 3891588
1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea
CID 27234834
5-(1,1-dideuterioethyl)-2-phenyl-4H-pyrazol-3-one
CID 59366250

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea?
The IUPAC name of 1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea (CID 131879882) is 1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea.
What is the SMILES notation for 1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea?
The canonical SMILES for 1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea is CCNC(=O)NC1=NN(c2ccccc2)C(=O)C1.
What is the InChIKey of 1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea?
The InChIKey is AFYXATUJOKVWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-13-12(18)14-10-8-11(17)16(15-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,13,14,15,18).
What are the key properties of 1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea?
1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea has a molecular weight of 246.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea is sourced from PubChem (CID 131879882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).