1-(1,3-diethylpyrazol-5-yl)-2-(2,5-difluorophenyl)ethanone

C15H16F2N2O — CID 105082420

IUPAC1-(1,3-diethylpyrazol-5-yl)-2-(2,5-difluorophenyl)ethanone
SMILESCCc1cc(C(=O)Cc2cc(F)ccc2F)n(CC)n1
InChIInChI=1S/C15H16F2N2O/c1-3-12-9-14(19(4-2)18-12)15(20)8-10-7-11(16)5-6-13(10)17/h5-7,9H,3-4,8H2,1-2H3
InChIKeyQCEVGGPTLWNULJ-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.17
Rot. Bonds5

About 1-(1,3-diethylpyrazol-5-yl)-2-(2,5-difluorophenyl)ethanone

1-(1,3-diethylpyrazol-5-yl)-2-(2,5-difluorophenyl)ethanone (PubChem CID 105082420) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-2-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-2-(2,5-difluorophenyl)ethanone
PubChem CID105082420
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-2-(2,5-difluorophenyl)ethanone
SMILESCCc1cc(C(=O)Cc2cc(F)ccc2F)n(CC)n1
InChIInChI=1S/C15H16F2N2O/c1-3-12-9-14(19(4-2)18-12)15(20)8-10-7-11(16)5-6-13(10)17/h5-7,9H,3-4,8H2,1-2H3
InChIKeyQCEVGGPTLWNULJ-UHFFFAOYSA-N
XLogP3.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanone
CID 105090121
1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063028
(1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 105123639
2-ethyl-1,4-difluorobenzene
CID 23202513
2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 103042823
N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide
CID 81315071
2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115778768
(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671135
azepan-1-yl-(1,3-diethylpyrazol-5-yl)methanone
CID 66120416
1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one
CID 107891320
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 105086017
[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
CID 107698448

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-2-(2,5-difluorophenyl)ethanone?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-2-(2,5-difluorophenyl)ethanone (CID 105082420) is 1-(1,3-diethylpyrazol-5-yl)-2-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-2-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-2-(2,5-difluorophenyl)ethanone is CCc1cc(C(=O)Cc2cc(F)ccc2F)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-2-(2,5-difluorophenyl)ethanone?
The InChIKey is QCEVGGPTLWNULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-3-12-9-14(19(4-2)18-12)15(20)8-10-7-11(16)5-6-13(10)17/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-2-(2,5-difluorophenyl)ethanone?
1-(1,3-diethylpyrazol-5-yl)-2-(2,5-difluorophenyl)ethanone has a molecular weight of 278.30 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-2-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 105082420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).