N-(2-chloro-4-fluorophenyl)-4-fluoro-1H-pyrazole-5-carboxamide

C10H6ClF2N3O — CID 16659607

IUPACN-(2-chloro-4-fluorophenyl)-4-fluoro-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1[nH]ncc1F
InChIInChI=1S/C10H6ClF2N3O/c11-6-3-5(12)1-2-8(6)15-10(17)9-7(13)4-14-16-9/h1-4H,(H,14,16)(H,15,17)
InChIKeyOUTKIMDROHEBAR-UHFFFAOYSA-N
MW257.63 g/mol
LogP2.59
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-4-fluoro-1H-pyrazole-5-carboxamide

N-(2-chloro-4-fluorophenyl)-4-fluoro-1H-pyrazole-5-carboxamide (PubChem CID 16659607) has the molecular formula C10H6ClF2N3O and a molecular weight of 257.63 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-fluoro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-fluoro-1H-pyrazole-5-carboxamide
PubChem CID16659607
Molecular FormulaC10H6ClF2N3O
Molecular Weight257.63 g/mol
Exact Mass257.02
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-fluoro-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1[nH]ncc1F
InChIInChI=1S/C10H6ClF2N3O/c11-6-3-5(12)1-2-8(6)15-10(17)9-7(13)4-14-16-9/h1-4H,(H,14,16)(H,15,17)
InChIKeyOUTKIMDROHEBAR-UHFFFAOYSA-N
XLogP2.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.63
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-fluoro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-fluoro-1H-pyrazole-5-carboxamide (CID 16659607) is N-(2-chloro-4-fluorophenyl)-4-fluoro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-fluoro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-fluoro-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(F)cc1Cl)c1[nH]ncc1F.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-fluoro-1H-pyrazole-5-carboxamide?
The InChIKey is OUTKIMDROHEBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2N3O/c11-6-3-5(12)1-2-8(6)15-10(17)9-7(13)4-14-16-9/h1-4H,(H,14,16)(H,15,17).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-fluoro-1H-pyrazole-5-carboxamide?
N-(2-chloro-4-fluorophenyl)-4-fluoro-1H-pyrazole-5-carboxamide has a molecular weight of 257.63 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-fluoro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 16659607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).