5-amino-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide

C10H10N4O2 — CID 123704437

IUPAC5-amino-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide
SMILESNC(=O)n1[nH]c(N)c(-c2ccccc2)c1=O
InChIInChI=1S/C10H10N4O2/c11-8-7(6-4-2-1-3-5-6)9(15)14(13-8)10(12)16/h1-5,13H,11H2,(H2,12,16)
InChIKeyUWLNYWRDLHLLJS-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.35
Rot. Bonds1

About 5-amino-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide

5-amino-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide (PubChem CID 123704437) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-amino-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide
PubChem CID123704437
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-amino-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide
SMILESNC(=O)n1[nH]c(N)c(-c2ccccc2)c1=O
InChIInChI=1S/C10H10N4O2/c11-8-7(6-4-2-1-3-5-6)9(15)14(13-8)10(12)16/h1-5,13H,11H2,(H2,12,16)
InChIKeyUWLNYWRDLHLLJS-UHFFFAOYSA-N
XLogP0.35
TPSA106.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide?
The IUPAC name of 5-amino-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide (CID 123704437) is 5-amino-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide.
What is the SMILES notation for 5-amino-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide?
The canonical SMILES for 5-amino-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide is NC(=O)n1[nH]c(N)c(-c2ccccc2)c1=O.
What is the InChIKey of 5-amino-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide?
The InChIKey is UWLNYWRDLHLLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-8-7(6-4-2-1-3-5-6)9(15)14(13-8)10(12)16/h1-5,13H,11H2,(H2,12,16).
What are the key properties of 5-amino-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide?
5-amino-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide has a molecular weight of 218.22 g/mol, XLogP of 0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-oxo-4-phenyl-1H-pyrazole-2-carboxamide is sourced from PubChem (CID 123704437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).