2-(2,3-difluorophenyl)-1-(1-propylpyrazol-4-yl)ethanone

C14H14F2N2O — CID 114963907

IUPAC2-(2,3-difluorophenyl)-1-(1-propylpyrazol-4-yl)ethanone
SMILESCCCn1cc(C(=O)Cc2cccc(F)c2F)cn1
InChIInChI=1S/C14H14F2N2O/c1-2-6-18-9-11(8-17-18)13(19)7-10-4-3-5-12(15)14(10)16/h3-5,8-9H,2,6-7H2,1H3
InChIKeyNIXCRAQFNHGTQW-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.00
Rot. Bonds5

About 2-(2,3-difluorophenyl)-1-(1-propylpyrazol-4-yl)ethanone

2-(2,3-difluorophenyl)-1-(1-propylpyrazol-4-yl)ethanone (PubChem CID 114963907) has the molecular formula C14H14F2N2O and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(1-propylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(1-propylpyrazol-4-yl)ethanone
PubChem CID114963907
Molecular FormulaC14H14F2N2O
Molecular Weight264.27 g/mol
Exact Mass264.11
IUPAC Name2-(2,3-difluorophenyl)-1-(1-propylpyrazol-4-yl)ethanone
SMILESCCCn1cc(C(=O)Cc2cccc(F)c2F)cn1
InChIInChI=1S/C14H14F2N2O/c1-2-6-18-9-11(8-17-18)13(19)7-10-4-3-5-12(15)14(10)16/h3-5,8-9H,2,6-7H2,1H3
InChIKeyNIXCRAQFNHGTQW-UHFFFAOYSA-N
XLogP3.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanone
CID 114885302
1-(2,3-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122168314
4,4,4-trifluoro-1-(1-propylpyrazol-4-yl)butan-1-one
CID 79953421
2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone
CID 114972520
1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone
CID 105083264
1-(1-propylpyrazol-4-yl)hexan-1-one
CID 114963851
4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572838
1-(1-propylpyrazol-4-yl)dodecan-1-one
CID 114963871
2-fluoro-6-(1-propylpyrazol-4-yl)benzoic acid
CID 114560299
(2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963861
2-(3-chlorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanone
CID 66147036
2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone
CID 105082191

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(1-propylpyrazol-4-yl)ethanone?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(1-propylpyrazol-4-yl)ethanone (CID 114963907) is 2-(2,3-difluorophenyl)-1-(1-propylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(1-propylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(1-propylpyrazol-4-yl)ethanone is CCCn1cc(C(=O)Cc2cccc(F)c2F)cn1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(1-propylpyrazol-4-yl)ethanone?
The InChIKey is NIXCRAQFNHGTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-2-6-18-9-11(8-17-18)13(19)7-10-4-3-5-12(15)14(10)16/h3-5,8-9H,2,6-7H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-(1-propylpyrazol-4-yl)ethanone?
2-(2,3-difluorophenyl)-1-(1-propylpyrazol-4-yl)ethanone has a molecular weight of 264.27 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(1-propylpyrazol-4-yl)ethanone is sourced from PubChem (CID 114963907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).