1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-fluorophenyl)ethanone

C14H15FN2O — CID 102811605

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-fluorophenyl)ethanone
SMILESCCc1nn(C)cc1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H15FN2O/c1-3-13-12(9-17(2)16-13)14(18)8-10-4-6-11(15)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyWUJNQQGZTZZWDO-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.55
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-fluorophenyl)ethanone

1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 102811605) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-fluorophenyl)ethanone
PubChem CID102811605
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-fluorophenyl)ethanone
SMILESCCc1nn(C)cc1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H15FN2O/c1-3-13-12(9-17(2)16-13)14(18)8-10-4-6-11(15)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyWUJNQQGZTZZWDO-UHFFFAOYSA-N
XLogP2.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 102811683
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 112549095
2-ethoxy-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone
CID 102811790
1-(3-ethyl-1-methylpyrazol-4-yl)but-3-en-1-one
CID 102811634
1-(3-ethyl-1-methylpyrazol-4-yl)octan-1-one
CID 102811654
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(4-methylphenyl)propane-1,3-dione
CID 102810659
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone
CID 102811780
1-(3-ethyl-1-methylpyrazol-4-yl)pent-4-yn-1-one
CID 102811725
1-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propane-1,3-dione
CID 102810662
3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 107231636
2-(4-tert-butylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
CID 102802701
3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide
CID 114258712

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-fluorophenyl)ethanone (CID 102811605) is 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-fluorophenyl)ethanone is CCc1nn(C)cc1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is WUJNQQGZTZZWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-3-13-12(9-17(2)16-13)14(18)8-10-4-6-11(15)7-5-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-fluorophenyl)ethanone?
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 246.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 102811605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).