2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone

C15H17FN2O2 — CID 114639487

IUPAC2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
SMILESCCCn1ncc(OC)c1C(=O)Cc1ccccc1F
InChIInChI=1S/C15H17FN2O2/c1-3-8-18-15(14(20-2)10-17-18)13(19)9-11-6-4-5-7-12(11)16/h4-7,10H,3,8-9H2,1-2H3
InChIKeyWAWUGMCRQHBGSR-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.87
Rot. Bonds6

About 2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone

2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone (PubChem CID 114639487) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
PubChem CID114639487
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
SMILESCCCn1ncc(OC)c1C(=O)Cc1ccccc1F
InChIInChI=1S/C15H17FN2O2/c1-3-8-18-15(14(20-2)10-17-18)13(19)9-11-6-4-5-7-12(11)16/h4-7,10H,3,8-9H2,1-2H3
InChIKeyWAWUGMCRQHBGSR-UHFFFAOYSA-N
XLogP2.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114642210
1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone
CID 114639732
1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one
CID 115810940
(3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114641960
(4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone
CID 114638964
2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114670106
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-phenylethanone
CID 114638948
2-(1-aminocyclopentyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114669614
(3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114640314
4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
CID 105133556
(2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810962
2-amino-3,3,3-trifluoro-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114670313

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone (CID 114639487) is 2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone is CCCn1ncc(OC)c1C(=O)Cc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone?
The InChIKey is WAWUGMCRQHBGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-3-8-18-15(14(20-2)10-17-18)13(19)9-11-6-4-5-7-12(11)16/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone?
2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone has a molecular weight of 276.31 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone is sourced from PubChem (CID 114639487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).