4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide

C13H11F4N3O — CID 103856090

IUPAC4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1ccc(F)c(C(F)(F)F)c1)c1cn[nH]c1
InChIInChI=1S/C13H11F4N3O/c1-7(9-5-18-19-6-9)20-12(21)8-2-3-11(14)10(4-8)13(15,16)17/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeySAZGDLNIXBBUBC-UHFFFAOYSA-N
MW301.24 g/mol
LogP3.06
Rot. Bonds3

About 4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide

4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 103856090) has the molecular formula C13H11F4N3O and a molecular weight of 301.24 g/mol. Its IUPAC name is 4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID103856090
Molecular FormulaC13H11F4N3O
Molecular Weight301.24 g/mol
Exact Mass301.08
IUPAC Name4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1ccc(F)c(C(F)(F)F)c1)c1cn[nH]c1
InChIInChI=1S/C13H11F4N3O/c1-7(9-5-18-19-6-9)20-12(21)8-2-3-11(14)10(4-8)13(15,16)17/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeySAZGDLNIXBBUBC-UHFFFAOYSA-N
XLogP3.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]benzoic acid
CID 106215507
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217781
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 113339663
3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038
4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106218102
2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856738
3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 97245131
2-fluoro-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106211222
N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide
CID 103856354
3-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217042
4-fluoro-N-(1-methoxy-1-phenylpropan-2-yl)-3-(trifluoromethyl)benzamide
CID 70989867
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662948

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide (CID 103856090) is 4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide is CC(NC(=O)c1ccc(F)c(C(F)(F)F)c1)c1cn[nH]c1.
What is the InChIKey of 4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is SAZGDLNIXBBUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3O/c1-7(9-5-18-19-6-9)20-12(21)8-2-3-11(14)10(4-8)13(15,16)17/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide?
4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 301.24 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 103856090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).