N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide

C17H20FN3O — CID 51231002

IUPACN-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccnn2C2CCCCC2)cc1F
InChIInChI=1S/C17H20FN3O/c1-12-7-8-13(11-15(12)18)17(22)20-16-9-10-19-21(16)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,20,22)
InChIKeyMIKZRCJQZDDGSK-UHFFFAOYSA-N
MW301.37 g/mol
LogP4.09
Rot. Bonds3

About N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide

N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide (PubChem CID 51231002) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide
PubChem CID51231002
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccnn2C2CCCCC2)cc1F
InChIInChI=1S/C17H20FN3O/c1-12-7-8-13(11-15(12)18)17(22)20-16-9-10-19-21(16)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,20,22)
InChIKeyMIKZRCJQZDDGSK-UHFFFAOYSA-N
XLogP4.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide
CID 51192351
N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51145829
N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide
CID 51145870
N-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78772109
N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145839
N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
CID 78793945
N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide
CID 8781434
3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145778
N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide
CID 8890675
2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51205719
2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51145874
N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24794158

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide (CID 51231002) is N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccnn2C2CCCCC2)cc1F.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide?
The InChIKey is MIKZRCJQZDDGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-12-7-8-13(11-15(12)18)17(22)20-16-9-10-19-21(16)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,20,22).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide?
N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide has a molecular weight of 301.37 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 51231002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).