2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone

C15H17FN2O2 — CID 114639086

IUPAC2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
SMILESCOc1cnn(C(C)C)c1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2/c1-10(2)18-15(14(20-3)9-17-18)13(19)8-11-4-6-12(16)7-5-11/h4-7,9-10H,8H2,1-3H3
InChIKeyBUQSVZSLPNLDRX-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.04
Rot. Bonds5

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

2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone (PubChem CID 114639086) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
PubChem CID114639086
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
SMILESCOc1cnn(C(C)C)c1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2/c1-10(2)18-15(14(20-3)9-17-18)13(19)8-11-4-6-12(16)7-5-11/h4-7,9-10H,8H2,1-3H3
InChIKeyBUQSVZSLPNLDRX-UHFFFAOYSA-N
XLogP3.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
CID 114639081
2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114639636
(2,4-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114639995
2,2-diethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114641410
3,3,3-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one
CID 103311596
5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one
CID 114671003
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one
CID 114638776
3-(3-aminophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 114670810
2-(2-bromophenyl)sulfanyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114641023
2-(4-aminophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114668152
3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 115810604
(2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810393

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone (CID 114639086) is 2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone is COc1cnn(C(C)C)c1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone?
The InChIKey is BUQSVZSLPNLDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10(2)18-15(14(20-3)9-17-18)13(19)8-11-4-6-12(16)7-5-11/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone?
2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone has a molecular weight of 276.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone is sourced from PubChem (CID 114639086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).