(1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone

C15H17FN2O2 — CID 105123639

IUPAC(1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone
SMILESCCc1cc(C(=O)c2cccc(OC)c2F)n(CC)n1
InChIInChI=1S/C15H17FN2O2/c1-4-10-9-12(18(5-2)17-10)15(19)11-7-6-8-13(20-3)14(11)16/h6-9H,4-5H2,1-3H3
InChIKeyLMIIUKKZTXMERF-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.84
Rot. Bonds5

About (1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone

(1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone (PubChem CID 105123639) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone
PubChem CID105123639
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name(1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone
SMILESCCc1cc(C(=O)c2cccc(OC)c2F)n(CC)n1
InChIInChI=1S/C15H17FN2O2/c1-4-10-9-12(18(5-2)17-10)15(19)11-7-6-8-13(20-3)14(11)16/h6-9H,4-5H2,1-3H3
InChIKeyLMIIUKKZTXMERF-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
(1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone
CID 105121799
1-(1,3-diethylpyrazol-5-yl)-2-(2,5-difluorophenyl)ethanone
CID 105082420
2-(2-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanone
CID 105090121
(2-amino-3-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone
CID 114213093
(3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 105128341
2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115778768
2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-one
CID 115792771
2-chloro-2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanone
CID 112575015
2-(2-fluoro-3-methoxyphenyl)but-2-enoic acid
CID 174955352
(2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 90097176
(2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone
CID 103125146

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone (CID 105123639) is (1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone is CCc1cc(C(=O)c2cccc(OC)c2F)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone?
The InChIKey is LMIIUKKZTXMERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-4-10-9-12(18(5-2)17-10)15(19)11-7-6-8-13(20-3)14(11)16/h6-9H,4-5H2,1-3H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone?
(1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone has a molecular weight of 276.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-(2-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 105123639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).