2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide

C17H21N3O2 — CID 126855667

IUPAC2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide
SMILESCOc1ccccc1C(=O)NC1CCC(n2cccn2)CC1
InChIInChI=1S/C17H21N3O2/c1-22-16-6-3-2-5-15(16)17(21)19-13-7-9-14(10-8-13)20-12-4-11-18-20/h2-6,11-14H,7-10H2,1H3,(H,19,21)
InChIKeyOQBMPSKEMUESRH-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.81
Rot. Bonds4

About 2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide

2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide (PubChem CID 126855667) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide
PubChem CID126855667
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide
SMILESCOc1ccccc1C(=O)NC1CCC(n2cccn2)CC1
InChIInChI=1S/C17H21N3O2/c1-22-16-6-3-2-5-15(16)17(21)19-13-7-9-14(10-8-13)20-12-4-11-18-20/h2-6,11-14H,7-10H2,1H3,(H,19,21)
InChIKeyOQBMPSKEMUESRH-UHFFFAOYSA-N
XLogP2.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-(4-bromocyclohexyl)-2-methoxybenzamide
CID 113274302
2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5173361
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
2-methoxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653454
4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide
CID 126851731
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methoxybenzamide;hydrochloride
CID 3059281
2-methoxy-N-[4-(pyridin-3-ylcarbamoyl)cyclohexyl]benzamide
CID 154762622
N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-2-methoxybenzamide
CID 124892081
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 110820045
N-[2-(cyclopropylamino)ethyl]-2-methoxybenzamide
CID 62665285
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide?
The IUPAC name of 2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide (CID 126855667) is 2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide?
The canonical SMILES for 2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide is COc1ccccc1C(=O)NC1CCC(n2cccn2)CC1.
What is the InChIKey of 2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide?
The InChIKey is OQBMPSKEMUESRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-22-16-6-3-2-5-15(16)17(21)19-13-7-9-14(10-8-13)20-12-4-11-18-20/h2-6,11-14H,7-10H2,1H3,(H,19,21).
What are the key properties of 2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide?
2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide has a molecular weight of 299.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide is sourced from PubChem (CID 126855667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).