1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxamide

C10H8ClN3O2 — CID 71396342

IUPAC1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxamide
SMILESNC(=O)C1=NN(c2ccc(Cl)cc2)C(=O)C1
InChIInChI=1S/C10H8ClN3O2/c11-6-1-3-7(4-2-6)14-9(15)5-8(13-14)10(12)16/h1-4H,5H2,(H2,12,16)
InChIKeyBSMCBWRTFRGLDH-UHFFFAOYSA-N
MW237.65 g/mol
LogP0.92
Rot. Bonds2

About 1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxamide

1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxamide (PubChem CID 71396342) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxamide
PubChem CID71396342
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxamide
SMILESNC(=O)C1=NN(c2ccc(Cl)cc2)C(=O)C1
InChIInChI=1S/C10H8ClN3O2/c11-6-1-3-7(4-2-6)14-9(15)5-8(13-14)10(12)16/h1-4H,5H2,(H2,12,16)
InChIKeyBSMCBWRTFRGLDH-UHFFFAOYSA-N
XLogP0.92
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_A(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxamide (CID 71396342) is 1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxamide is NC(=O)C1=NN(c2ccc(Cl)cc2)C(=O)C1.
What is the InChIKey of 1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxamide?
The InChIKey is BSMCBWRTFRGLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-6-1-3-7(4-2-6)14-9(15)5-8(13-14)10(12)16/h1-4H,5H2,(H2,12,16).
What are the key properties of 1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxamide?
1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxamide has a molecular weight of 237.65 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxamide is sourced from PubChem (CID 71396342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).