N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide

C12H12FN3O — CID 47423207

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
SMILESCCc1cc(NC(=O)c2ccccc2F)n[nH]1
InChIInChI=1S/C12H12FN3O/c1-2-8-7-11(16-15-8)14-12(17)9-5-3-4-6-10(9)13/h3-7H,2H2,1H3,(H2,14,15,16,17)
InChIKeyXRGUGBTXHIXVEH-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.36
Rot. Bonds3

About N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide

N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide (PubChem CID 47423207) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
PubChem CID47423207
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
SMILESCCc1cc(NC(=O)c2ccccc2F)n[nH]1
InChIInChI=1S/C12H12FN3O/c1-2-8-7-11(16-15-8)14-12(17)9-5-3-4-6-10(9)13/h3-7H,2H2,1H3,(H2,14,15,16,17)
InChIKeyXRGUGBTXHIXVEH-UHFFFAOYSA-N
XLogP2.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(5-ethyl-1H-pyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 47423364
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
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2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
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N-(5-ethyl-1H-pyrazol-3-yl)quinoline-5-carboxamide
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3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
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N-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide
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5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112690348
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide
CID 104616117
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751
2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-methylbenzamide
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CID 106512250

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide (CID 47423207) is N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide is CCc1cc(NC(=O)c2ccccc2F)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide?
The InChIKey is XRGUGBTXHIXVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-2-8-7-11(16-15-8)14-12(17)9-5-3-4-6-10(9)13/h3-7H,2H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide?
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide has a molecular weight of 233.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide is sourced from PubChem (CID 47423207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).