N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide

C16H21N3O3 — CID 19346004

IUPACN-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cn(C)nc2C)cc1OCC
InChIInChI=1S/C16H21N3O3/c1-5-21-14-8-7-12(9-15(14)22-6-2)16(20)17-13-10-19(4)18-11(13)3/h7-10H,5-6H2,1-4H3,(H,17,20)
InChIKeyBVNCEAUGMGSJKX-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.78
Rot. Bonds6

About N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide

N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide (PubChem CID 19346004) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
PubChem CID19346004
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cn(C)nc2C)cc1OCC
InChIInChI=1S/C16H21N3O3/c1-5-21-14-8-7-12(9-15(14)22-6-2)16(20)17-13-10-19(4)18-11(13)3/h7-10H,5-6H2,1-4H3,(H,17,20)
InChIKeyBVNCEAUGMGSJKX-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-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide
CID 35291217
N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide
CID 113358549
methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate
CID 19346192
N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide
CID 19346010
4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19412447
3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide
CID 113251749
3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide
CID 102803184
4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 103796977
N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide
CID 102807314
N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 42352848
4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 102803289
4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19412187

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide (CID 19346004) is N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2cn(C)nc2C)cc1OCC.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide?
The InChIKey is BVNCEAUGMGSJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-5-21-14-8-7-12(9-15(14)22-6-2)16(20)17-13-10-19(4)18-11(13)3/h7-10H,5-6H2,1-4H3,(H,17,20).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide?
N-(1,3-dimethylpyrazol-4-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-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide is sourced from PubChem (CID 19346004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).