N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide

C10H9N3O2 — CID 168654344

IUPACN-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide
SMILESO=CNc1ccc(C2=NNC(=O)C2)cc1
InChIInChI=1S/C10H9N3O2/c14-6-11-8-3-1-7(2-4-8)9-5-10(15)13-12-9/h1-4,6H,5H2,(H,11,14)(H,13,15)
InChIKeyAMLWFJOOIWOGPO-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.48
Rot. Bonds3

About N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide

N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide (PubChem CID 168654344) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide
PubChem CID168654344
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC NameN-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide
SMILESO=CNc1ccc(C2=NNC(=O)C2)cc1
InChIInChI=1S/C10H9N3O2/c14-6-11-8-3-1-7(2-4-8)9-5-10(15)13-12-9/h1-4,6H,5H2,(H,11,14)(H,13,15)
InChIKeyAMLWFJOOIWOGPO-UHFFFAOYSA-N
XLogP0.48
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide?
The IUPAC name of N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide (CID 168654344) is N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide.
What is the SMILES notation for N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide?
The canonical SMILES for N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide is O=CNc1ccc(C2=NNC(=O)C2)cc1.
What is the InChIKey of N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide?
The InChIKey is AMLWFJOOIWOGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-6-11-8-3-1-7(2-4-8)9-5-10(15)13-12-9/h1-4,6H,5H2,(H,11,14)(H,13,15).
What are the key properties of N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide?
N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide has a molecular weight of 203.20 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide is sourced from PubChem (CID 168654344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).