1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one

C13H13FN2O — CID 174471128

IUPAC1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one
SMILESCCC(=O)c1ccnn1Cc1ccc(F)cc1
InChIInChI=1S/C13H13FN2O/c1-2-13(17)12-7-8-15-16(12)9-10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3
InChIKeyNGOGGUVMZHTWHR-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.66
Rot. Bonds4

About 1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one

1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one (PubChem CID 174471128) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one
PubChem CID174471128
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one
SMILESCCC(=O)c1ccnn1Cc1ccc(F)cc1
InChIInChI=1S/C13H13FN2O/c1-2-13(17)12-7-8-15-16(12)9-10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3
InChIKeyNGOGGUVMZHTWHR-UHFFFAOYSA-N
XLogP2.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-5-methylpyrazole
CID 63278751
2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone
CID 63974862
2-[(4-chlorophenyl)methyl]pyrazole-3-carboxylic acid
CID 60780144
1-[2-(2,2-difluoroethyl)pyrazol-3-yl]-2-methylpropan-1-one
CID 118673436
6-[2-[(4-fluorophenyl)methyl]pyrazole-3-carbonyl]-1-hydroxy-3-methylcyclohex-4-ene-1,3-dicarboxylic acid
CID 174458678
N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propane-1-sulfonamide
CID 99842447
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19411730
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 4121548
2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone
CID 63974650
2-(2-benzylpyrazol-3-yl)-2-oxoacetic acid
CID 83391417
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6471079
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
CID 86907615

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one (CID 174471128) is 1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one is CCC(=O)c1ccnn1Cc1ccc(F)cc1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one?
The InChIKey is NGOGGUVMZHTWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-2-13(17)12-7-8-15-16(12)9-10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3.
What are the key properties of 1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one?
1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one has a molecular weight of 232.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one is sourced from PubChem (CID 174471128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).