N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide

C16H21N3O3 — CID 35291217

IUPACN-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C)nn2C)cc1OCC
InChIInChI=1S/C16H21N3O3/c1-5-21-13-8-7-12(10-14(13)22-6-2)16(20)17-15-9-11(3)18-19(15)4/h7-10H,5-6H2,1-4H3,(H,17,20)
InChIKeyMZSMRQYAPIBJOR-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.78
Rot. Bonds6

About N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide

N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide (PubChem CID 35291217) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide
PubChem CID35291217
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C)nn2C)cc1OCC
InChIInChI=1S/C16H21N3O3/c1-5-21-13-8-7-12(10-14(13)22-6-2)16(20)17-15-9-11(3)18-19(15)4/h7-10H,5-6H2,1-4H3,(H,17,20)
InChIKeyMZSMRQYAPIBJOR-UHFFFAOYSA-N
XLogP2.78
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 37044050
3,4-diethoxy-N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
CID 75119265
4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19412187
3,4-diethoxy-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
CID 134713578
3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19297941
N-(2-benzyl-5-methylpyrazol-3-yl)-4-ethoxy-3-nitrobenzamide
CID 51112941
N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614459
3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 43156305
3,4-diethoxy-N-pyridin-2-ylbenzamide
CID 4520194
3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928120
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide
CID 18775613

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide (CID 35291217) is N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2cc(C)nn2C)cc1OCC.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide?
The InChIKey is MZSMRQYAPIBJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-5-21-13-8-7-12(10-14(13)22-6-2)16(20)17-15-9-11(3)18-19(15)4/h7-10H,5-6H2,1-4H3,(H,17,20).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide?
N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide has a molecular weight of 303.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide is sourced from PubChem (CID 35291217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).