N-[2-(2,6-difluorophenyl)-3,4-dihydropyrazol-5-yl]acetamide

C11H11F2N3O — CID 90095328

IUPACN-[2-(2,6-difluorophenyl)-3,4-dihydropyrazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(c2c(F)cccc2F)CC1
InChIInChI=1S/C11H11F2N3O/c1-7(17)14-10-5-6-16(15-10)11-8(12)3-2-4-9(11)13/h2-4H,5-6H2,1H3,(H,14,15,17)
InChIKeyKSBFIHXOYGXXRR-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.62
Rot. Bonds1

About N-[2-(2,6-difluorophenyl)-3,4-dihydropyrazol-5-yl]acetamide

N-[2-(2,6-difluorophenyl)-3,4-dihydropyrazol-5-yl]acetamide (PubChem CID 90095328) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-3,4-dihydropyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-3,4-dihydropyrazol-5-yl]acetamide
PubChem CID90095328
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC NameN-[2-(2,6-difluorophenyl)-3,4-dihydropyrazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(c2c(F)cccc2F)CC1
InChIInChI=1S/C11H11F2N3O/c1-7(17)14-10-5-6-16(15-10)11-8(12)3-2-4-9(11)13/h2-4H,5-6H2,1H3,(H,14,15,17)
InChIKeyKSBFIHXOYGXXRR-UHFFFAOYSA-N
XLogP1.62
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-3,4-dihydropyrazol-5-yl]acetamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)-3,4-dihydropyrazol-5-yl]acetamide (CID 90095328) is N-[2-(2,6-difluorophenyl)-3,4-dihydropyrazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-3,4-dihydropyrazol-5-yl]acetamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-3,4-dihydropyrazol-5-yl]acetamide is CC(=O)NC1=NN(c2c(F)cccc2F)CC1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-3,4-dihydropyrazol-5-yl]acetamide?
The InChIKey is KSBFIHXOYGXXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-7(17)14-10-5-6-16(15-10)11-8(12)3-2-4-9(11)13/h2-4H,5-6H2,1H3,(H,14,15,17).
What are the key properties of N-[2-(2,6-difluorophenyl)-3,4-dihydropyrazol-5-yl]acetamide?
N-[2-(2,6-difluorophenyl)-3,4-dihydropyrazol-5-yl]acetamide has a molecular weight of 239.23 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-3,4-dihydropyrazol-5-yl]acetamide is sourced from PubChem (CID 90095328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).