1-(1-benzyl-5-fluoropyrazol-4-yl)ethanone

C12H11FN2O — CID 115030502

IUPAC1-(1-benzyl-5-fluoropyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(Cc2ccccc2)c1F
InChIInChI=1S/C12H11FN2O/c1-9(16)11-7-14-15(12(11)13)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyQOWOVEAYPCRDIS-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.27
Rot. Bonds3

About 1-(1-benzyl-5-fluoropyrazol-4-yl)ethanone

1-(1-benzyl-5-fluoropyrazol-4-yl)ethanone (PubChem CID 115030502) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-(1-benzyl-5-fluoropyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzyl-5-fluoropyrazol-4-yl)ethanone
PubChem CID115030502
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name1-(1-benzyl-5-fluoropyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(Cc2ccccc2)c1F
InChIInChI=1S/C12H11FN2O/c1-9(16)11-7-14-15(12(11)13)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyQOWOVEAYPCRDIS-UHFFFAOYSA-N
XLogP2.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-fluoropyrazole-4-carboxylic acid
CID 115031839
1,5-dibenzylpyrazole-4-carboxylic acid
CID 121436106
ethyl 5-amino-1-benzylpyrazole-4-carboxylate
CID 785810
N-[1-(1-benzyl-5-methylpyrazol-4-yl)ethylidene]hydroxylamine
CID 131135178
1-benzyl-N-(diaminomethylidene)-5-methylpyrazole-4-carboxamide
CID 22267704
2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid
CID 119171995
N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide
CID 78874071
1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 78874296
1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide
CID 78892567
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide
CID 139467089
ethyl 1-benzyl-5-propan-2-ylpyrazole-4-carboxylate
CID 60768852

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-fluoropyrazol-4-yl)ethanone?
The IUPAC name of 1-(1-benzyl-5-fluoropyrazol-4-yl)ethanone (CID 115030502) is 1-(1-benzyl-5-fluoropyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-benzyl-5-fluoropyrazol-4-yl)ethanone?
The canonical SMILES for 1-(1-benzyl-5-fluoropyrazol-4-yl)ethanone is CC(=O)c1cnn(Cc2ccccc2)c1F.
What is the InChIKey of 1-(1-benzyl-5-fluoropyrazol-4-yl)ethanone?
The InChIKey is QOWOVEAYPCRDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-9(16)11-7-14-15(12(11)13)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 1-(1-benzyl-5-fluoropyrazol-4-yl)ethanone?
1-(1-benzyl-5-fluoropyrazol-4-yl)ethanone has a molecular weight of 218.23 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-fluoropyrazol-4-yl)ethanone is sourced from PubChem (CID 115030502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).