N-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide

C20H21N3O3 — CID 46106932

IUPACN-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide
SMILESCCc1cc(NC(=O)c2cccc(OC)c2)nn1-c1ccc(OC)cc1
InChIInChI=1S/C20H21N3O3/c1-4-15-13-19(21-20(24)14-6-5-7-18(12-14)26-3)22-23(15)16-8-10-17(25-2)11-9-16/h5-13H,4H2,1-3H3,(H,21,22,24)
InChIKeyNIYJJGKOBZUUQI-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.70
Rot. Bonds6

About N-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide

N-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide (PubChem CID 46106932) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide
PubChem CID46106932
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide
SMILESCCc1cc(NC(=O)c2cccc(OC)c2)nn1-c1ccc(OC)cc1
InChIInChI=1S/C20H21N3O3/c1-4-15-13-19(21-20(24)14-6-5-7-18(12-14)26-3)22-23(15)16-8-10-17(25-2)11-9-16/h5-13H,4H2,1-3H3,(H,21,22,24)
InChIKeyNIYJJGKOBZUUQI-UHFFFAOYSA-N
XLogP3.70
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535277
3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1204224
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
CID 46107097
N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046648
ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate
CID 112535456
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
3-methoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286725
3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide
CID 46088099
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-methoxybenzamide
CID 122296586
3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide
CID 46107962

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide?
The IUPAC name of N-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide (CID 46106932) is N-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide?
The canonical SMILES for N-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide is CCc1cc(NC(=O)c2cccc(OC)c2)nn1-c1ccc(OC)cc1.
What is the InChIKey of N-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide?
The InChIKey is NIYJJGKOBZUUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-4-15-13-19(21-20(24)14-6-5-7-18(12-14)26-3)22-23(15)16-8-10-17(25-2)11-9-16/h5-13H,4H2,1-3H3,(H,21,22,24).
What are the key properties of N-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide?
N-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide has a molecular weight of 351.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide is sourced from PubChem (CID 46106932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).