N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide

C10H9N3O2 — CID 131880242

IUPACN-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide
SMILESO=CNC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C10H9N3O2/c14-7-11-9-6-10(15)13(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,12,14)
InChIKeyORMJZMCKRLXGOE-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.48
Rot. Bonds2

About N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide

N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide (PubChem CID 131880242) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide.

Molecular Properties

Compound NameN-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide
PubChem CID131880242
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC NameN-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide
SMILESO=CNC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C10H9N3O2/c14-7-11-9-6-10(15)13(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,12,14)
InChIKeyORMJZMCKRLXGOE-UHFFFAOYSA-N
XLogP0.48
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea
CID 131879882
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2,2-diphenylacetamide
CID 17341544
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-piperidin-1-ylacetamide
CID 25020981
(5-oxo-1-phenyl-4H-pyrazol-3-yl) formate
CID 90178800
5-chloro-2-phenyl-4H-pyrazol-3-one
CID 18922596
4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide
CID 4086322
5-benzoyl-2-phenyl-4H-pyrazol-3-one
CID 12609851
5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide
CID 3891588
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 17341539
1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea
CID 27234834
2-phenyl-5-pyrrolidin-1-yl-4H-pyrazol-3-one
CID 70700769
2-[(4-methylphenyl)methylsulfanyl]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
CID 17341604

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide?
The IUPAC name of N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide (CID 131880242) is N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide.
What is the SMILES notation for N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide?
The canonical SMILES for N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide is O=CNC1=NN(c2ccccc2)C(=O)C1.
What is the InChIKey of N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide?
The InChIKey is ORMJZMCKRLXGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-7-11-9-6-10(15)13(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,12,14).
What are the key properties of N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide?
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide has a molecular weight of 203.20 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide is sourced from PubChem (CID 131880242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).