N-(2-cyclohexylpyrazol-3-yl)-3,5-dimethoxybenzamide

C18H23N3O3 — CID 9109476

IUPACN-(2-cyclohexylpyrazol-3-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccnn2C2CCCCC2)c1
InChIInChI=1S/C18H23N3O3/c1-23-15-10-13(11-16(12-15)24-2)18(22)20-17-8-9-19-21(17)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,20,22)
InChIKeySZAHGSMYPKXWGM-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.66
Rot. Bonds5

About N-(2-cyclohexylpyrazol-3-yl)-3,5-dimethoxybenzamide

N-(2-cyclohexylpyrazol-3-yl)-3,5-dimethoxybenzamide (PubChem CID 9109476) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-3,5-dimethoxybenzamide
PubChem CID9109476
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccnn2C2CCCCC2)c1
InChIInChI=1S/C18H23N3O3/c1-23-15-10-13(11-16(12-15)24-2)18(22)20-17-8-9-19-21(17)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,20,22)
InChIKeySZAHGSMYPKXWGM-UHFFFAOYSA-N
XLogP3.66
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
3-[2-(2-methoxyphenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67305655
3-[2-(4-fluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67305810
3-[2-(2,4-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67306982
3-[2-(2-fluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67307127
3-[(E)-2-(2-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540510
3-[(E)-2-(4-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540511
3-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540610
3-[(E)-2-(2,5-difluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540611
3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540612
3-[trans-2-(2-methoxyphenyl)vinyl]-5-(2-methoxy-(1S)-methyl-ethoxy)-N-(1-methyl-1H-pyrazol-3-yl)-benzamide
CID 71540614

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-3,5-dimethoxybenzamide (CID 9109476) is N-(2-cyclohexylpyrazol-3-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccnn2C2CCCCC2)c1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-3,5-dimethoxybenzamide?
The InChIKey is SZAHGSMYPKXWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-23-15-10-13(11-16(12-15)24-2)18(22)20-17-8-9-19-21(17)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,20,22).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-3,5-dimethoxybenzamide?
N-(2-cyclohexylpyrazol-3-yl)-3,5-dimethoxybenzamide has a molecular weight of 329.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 9109476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).