2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

C12H11F2N3O — CID 103856738

IUPAC2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(F)c1F)c1cn[nH]c1
InChIInChI=1S/C12H11F2N3O/c1-7(8-5-15-16-6-8)17-12(18)9-3-2-4-10(13)11(9)14/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyBSNDOGZZQZDLDO-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.18
Rot. Bonds3

About 2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 103856738) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID103856738
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(F)c1F)c1cn[nH]c1
InChIInChI=1S/C12H11F2N3O/c1-7(8-5-15-16-6-8)17-12(18)9-3-2-4-10(13)11(9)14/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyBSNDOGZZQZDLDO-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
2-bromo-6-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856239
3-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 114158286
2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 62865993
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide
CID 103856743
3-(methylamino)-2-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106218033
2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855757
3-methyl-2-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856189
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856637
2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856392
2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106215424

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (CID 103856738) is 2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is CC(NC(=O)c1cccc(F)c1F)c1cn[nH]c1.
What is the InChIKey of 2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is BSNDOGZZQZDLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-7(8-5-15-16-6-8)17-12(18)9-3-2-4-10(13)11(9)14/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 251.24 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 103856738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).