N-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide

C17H14FN3O — CID 154687564

IUPACN-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnn(-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C17H14FN3O/c1-12(22)20-16-4-2-3-13(9-16)14-10-19-21(11-14)17-7-5-15(18)6-8-17/h2-11H,1H3,(H,20,22)
InChIKeyBGBRLYQMZNULLF-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.64
Rot. Bonds3

About N-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide

N-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide (PubChem CID 154687564) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide
PubChem CID154687564
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnn(-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C17H14FN3O/c1-12(22)20-16-4-2-3-13(9-16)14-10-19-21(11-14)17-7-5-15(18)6-8-17/h2-11H,1H3,(H,20,22)
InChIKeyBGBRLYQMZNULLF-UHFFFAOYSA-N
XLogP3.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(2-chloro-4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide
CID 154687532
tert-butyl N-[(1S)-1-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]ethyl]carbamate
CID 170765544
N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38764433
N-[3-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]acetamide
CID 154687718
N-[3-(1-methylpyrazol-4-yl)phenyl]-3-oxobutanamide
CID 110477397
methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate
CID 110477766
N-[3-(4-fluoroanilino)phenyl]acetamide
CID 82536071
N-(3-acetamidophenyl)-3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882882
N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide
CID 71003917
4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49033681
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480979

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide (CID 154687564) is N-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cnn(-c3ccc(F)cc3)c2)c1.
What is the InChIKey of N-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide?
The InChIKey is BGBRLYQMZNULLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-12(22)20-16-4-2-3-13(9-16)14-10-19-21(11-14)17-7-5-15(18)6-8-17/h2-11H,1H3,(H,20,22).
What are the key properties of N-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide?
N-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide has a molecular weight of 295.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 154687564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).