N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide

C18H16FN3O — CID 112805726

IUPACN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1
InChIInChI=1S/C18H16FN3O/c1-12-4-3-5-14(10-12)18(23)20-17-11-13(2)21-22(17)16-8-6-15(19)7-9-16/h3-11H,1-2H3,(H,20,23)
InChIKeyRMLCHTZEKPUBNZ-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.88
Rot. Bonds3

About N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide (PubChem CID 112805726) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
PubChem CID112805726
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1
InChIInChI=1S/C18H16FN3O/c1-12-4-3-5-14(10-12)18(23)20-17-11-13(2)21-22(17)16-8-6-15(19)7-9-16/h3-11H,1-2H3,(H,20,23)
InChIKeyRMLCHTZEKPUBNZ-UHFFFAOYSA-N
XLogP3.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-pyrrol-1-ylbenzamide
CID 112805877
3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112845051
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 43018526
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 112805705
3-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135870125
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-imidazol-1-ylbenzamide
CID 172890573
4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112805768
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112805830
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyridine-4-carboxamide
CID 71943772
3-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]benzamide
CID 136604251
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbenzamide
CID 3373388
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112805723

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide (CID 112805726) is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide?
The InChIKey is RMLCHTZEKPUBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-12-4-3-5-14(10-12)18(23)20-17-11-13(2)21-22(17)16-8-6-15(19)7-9-16/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide?
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide has a molecular weight of 309.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide is sourced from PubChem (CID 112805726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).