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

C17H21N3O — CID 51145870

IUPACN-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccnn2C2CCCCC2)c1
InChIInChI=1S/C17H21N3O/c1-13-6-5-7-14(12-13)17(21)19-16-10-11-18-20(16)15-8-3-2-4-9-15/h5-7,10-12,15H,2-4,8-9H2,1H3,(H,19,21)
InChIKeyXXJDLYPLAVGJAR-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.95
Rot. Bonds3

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

N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide (PubChem CID 51145870) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide
PubChem CID51145870
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccnn2C2CCCCC2)c1
InChIInChI=1S/C17H21N3O/c1-13-6-5-7-14(12-13)17(21)19-16-10-11-18-20(16)15-8-3-2-4-9-15/h5-7,10-12,15H,2-4,8-9H2,1H3,(H,19,21)
InChIKeyXXJDLYPLAVGJAR-UHFFFAOYSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145839
3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145778
N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide
CID 8890675
N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide
CID 51231002
N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide
CID 51192351
N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24794158
N-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51312508
N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 4849692
N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51145829
N-(2-cyclohexylpyrazol-3-yl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 134037675
N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
CID 78793945
N-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78772109

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide (CID 51145870) is N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccnn2C2CCCCC2)c1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide?
The InChIKey is XXJDLYPLAVGJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-6-5-7-14(12-13)17(21)19-16-10-11-18-20(16)15-8-3-2-4-9-15/h5-7,10-12,15H,2-4,8-9H2,1H3,(H,19,21).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide?
N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide has a molecular weight of 283.38 g/mol, XLogP of 3.95, 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-methylbenzamide is sourced from PubChem (CID 51145870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).