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

C10H7ClFN3O — CID 43532923

IUPACN-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cn[nH]c1
InChIInChI=1S/C10H7ClFN3O/c11-8-3-7(1-2-9(8)12)15-10(16)6-4-13-14-5-6/h1-5H,(H,13,14)(H,15,16)
InChIKeySSFSAPJWSIHPJZ-UHFFFAOYSA-N
MW239.64 g/mol
LogP2.45
Rot. Bonds2

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

N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 43532923) has the molecular formula C10H7ClFN3O and a molecular weight of 239.64 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID43532923
Molecular FormulaC10H7ClFN3O
Molecular Weight239.64 g/mol
Exact Mass239.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cn[nH]c1
InChIInChI=1S/C10H7ClFN3O/c11-8-3-7(1-2-9(8)12)15-10(16)6-4-13-14-5-6/h1-5H,(H,13,14)(H,15,16)
InChIKeySSFSAPJWSIHPJZ-UHFFFAOYSA-N
XLogP2.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.64
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-chloro-N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 43532923) is N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cn[nH]c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is SSFSAPJWSIHPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O/c11-8-3-7(1-2-9(8)12)15-10(16)6-4-13-14-5-6/h1-5H,(H,13,14)(H,15,16).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 239.64 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43532923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).