3-(3-chloro-4-fluorophenyl)-N-oxo-1H-pyrazole-5-carboxamide

C10H5ClFN3O2 — CID 144845224

IUPAC3-(3-chloro-4-fluorophenyl)-N-oxo-1H-pyrazole-5-carboxamide
SMILESO=NC(=O)c1cc(-c2ccc(F)c(Cl)c2)n[nH]1
InChIInChI=1S/C10H5ClFN3O2/c11-6-3-5(1-2-7(6)12)8-4-9(14-13-8)10(16)15-17/h1-4H,(H,13,14)
InChIKeyMZHLUKUNROMIMA-UHFFFAOYSA-N
MW253.62 g/mol
LogP2.78
Rot. Bonds2

About 3-(3-chloro-4-fluorophenyl)-N-oxo-1H-pyrazole-5-carboxamide

3-(3-chloro-4-fluorophenyl)-N-oxo-1H-pyrazole-5-carboxamide (PubChem CID 144845224) has the molecular formula C10H5ClFN3O2 and a molecular weight of 253.62 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N-oxo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N-oxo-1H-pyrazole-5-carboxamide
PubChem CID144845224
Molecular FormulaC10H5ClFN3O2
Molecular Weight253.62 g/mol
Exact Mass253.01
IUPAC Name3-(3-chloro-4-fluorophenyl)-N-oxo-1H-pyrazole-5-carboxamide
SMILESO=NC(=O)c1cc(-c2ccc(F)c(Cl)c2)n[nH]1
InChIInChI=1S/C10H5ClFN3O2/c11-6-3-5(1-2-7(6)12)8-4-9(14-13-8)10(16)15-17/h1-4H,(H,13,14)
InChIKeyMZHLUKUNROMIMA-UHFFFAOYSA-N
XLogP2.78
TPSA75.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.62
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-oxo-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-oxo-1H-pyrazole-5-carboxamide (CID 144845224) is 3-(3-chloro-4-fluorophenyl)-N-oxo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N-oxo-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N-oxo-1H-pyrazole-5-carboxamide is O=NC(=O)c1cc(-c2ccc(F)c(Cl)c2)n[nH]1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N-oxo-1H-pyrazole-5-carboxamide?
The InChIKey is MZHLUKUNROMIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFN3O2/c11-6-3-5(1-2-7(6)12)8-4-9(14-13-8)10(16)15-17/h1-4H,(H,13,14).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-N-oxo-1H-pyrazole-5-carboxamide?
3-(3-chloro-4-fluorophenyl)-N-oxo-1H-pyrazole-5-carboxamide has a molecular weight of 253.62 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-N-oxo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 144845224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).