N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide

C12H11F2N3O — CID 113251945

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide
SMILESCCc1cn[nH]c1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2N3O/c1-2-7-6-15-17-11(7)16-12(18)8-3-4-9(13)10(14)5-8/h3-6H,2H2,1H3,(H2,15,16,17,18)
InChIKeyORGQRVKQFPOPJP-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.50
Rot. Bonds3

About N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide

N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide (PubChem CID 113251945) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide
PubChem CID113251945
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide
SMILESCCc1cn[nH]c1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2N3O/c1-2-7-6-15-17-11(7)16-12(18)8-3-4-9(13)10(14)5-8/h3-6H,2H2,1H3,(H2,15,16,17,18)
InChIKeyORGQRVKQFPOPJP-UHFFFAOYSA-N
XLogP2.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 115692336
4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 112699962
N-(4-ethyl-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide
CID 115680812
3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 115692372
3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736056
2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide
CID 113258806
N-(4-ethyl-1H-pyrazol-5-yl)pyrimidine-5-carboxamide
CID 104629328
4-[(dimethylamino)methyl]-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 115692357
3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 113286320
N-(4-ethyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 104619305
N-(4-ethyl-1H-pyrazol-5-yl)-2-fluoropyridine-3-carboxamide
CID 114037892
3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-nitrobenzamide
CID 115692475

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide (CID 113251945) is N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide is CCc1cn[nH]c1NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide?
The InChIKey is ORGQRVKQFPOPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-2-7-6-15-17-11(7)16-12(18)8-3-4-9(13)10(14)5-8/h3-6H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide?
N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide has a molecular weight of 251.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide is sourced from PubChem (CID 113251945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).