1-[3-[(4-fluorophenyl)methylamino]-1-phenylpyrazol-4-yl]ethanone

C18H16FN3O — CID 142770595

IUPAC1-[3-[(4-fluorophenyl)methylamino]-1-phenylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cn(-c2ccccc2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O/c1-13(23)17-12-22(16-5-3-2-4-6-16)21-18(17)20-11-14-7-9-15(19)10-8-14/h2-10,12H,11H2,1H3,(H,20,21)
InChIKeyVWYOMQDEIHGXFA-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.83
Rot. Bonds5

About 1-[3-[(4-fluorophenyl)methylamino]-1-phenylpyrazol-4-yl]ethanone

1-[3-[(4-fluorophenyl)methylamino]-1-phenylpyrazol-4-yl]ethanone (PubChem CID 142770595) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenyl)methylamino]-1-phenylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-fluorophenyl)methylamino]-1-phenylpyrazol-4-yl]ethanone
PubChem CID142770595
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name1-[3-[(4-fluorophenyl)methylamino]-1-phenylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cn(-c2ccccc2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O/c1-13(23)17-12-22(16-5-3-2-4-6-16)21-18(17)20-11-14-7-9-15(19)10-8-14/h2-10,12H,11H2,1H3,(H,20,21)
InChIKeyVWYOMQDEIHGXFA-UHFFFAOYSA-N
XLogP3.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluorophenyl)methylamino]-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 142770564
N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321
3-(4-fluorophenyl)-N',N'-dimethyl-1-phenylpyrazole-4-carbohydrazide
CID 9163796
1-(1-phenyl-3-trimethylsilylpyrazol-4-yl)ethanone
CID 15984451
1-phenyl-3-(pyrazin-2-ylmethylamino)pyrazole-4-carboxylic acid
CID 150917890
(2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide
CID 124595049
(2-amino-2-oxoethyl) 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 2580785
1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid
CID 43217709
1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one
CID 71418103
[4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid
CID 71134013
N-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 8744666
3-[(4-fluorophenyl)methylamino]-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 88898838

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenyl)methylamino]-1-phenylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[3-[(4-fluorophenyl)methylamino]-1-phenylpyrazol-4-yl]ethanone (CID 142770595) is 1-[3-[(4-fluorophenyl)methylamino]-1-phenylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-[(4-fluorophenyl)methylamino]-1-phenylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[3-[(4-fluorophenyl)methylamino]-1-phenylpyrazol-4-yl]ethanone is CC(=O)c1cn(-c2ccccc2)nc1NCc1ccc(F)cc1.
What is the InChIKey of 1-[3-[(4-fluorophenyl)methylamino]-1-phenylpyrazol-4-yl]ethanone?
The InChIKey is VWYOMQDEIHGXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-13(23)17-12-22(16-5-3-2-4-6-16)21-18(17)20-11-14-7-9-15(19)10-8-14/h2-10,12H,11H2,1H3,(H,20,21).
What are the key properties of 1-[3-[(4-fluorophenyl)methylamino]-1-phenylpyrazol-4-yl]ethanone?
1-[3-[(4-fluorophenyl)methylamino]-1-phenylpyrazol-4-yl]ethanone has a molecular weight of 309.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenyl)methylamino]-1-phenylpyrazol-4-yl]ethanone is sourced from PubChem (CID 142770595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).