3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide

C18H25N3O3 — CID 39891647

IUPAC3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)Cc2cnn(CC)c2)cc1OCC
InChIInChI=1S/C18H25N3O3/c1-5-21-13-14(11-19-21)12-20(4)18(22)15-8-9-16(23-6-2)17(10-15)24-7-3/h8-11,13H,5-7,12H2,1-4H3
InChIKeyGMIDMFASNPPGLB-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.97
Rot. Bonds8

About 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide

3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide (PubChem CID 39891647) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide
PubChem CID39891647
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)Cc2cnn(CC)c2)cc1OCC
InChIInChI=1S/C18H25N3O3/c1-5-21-13-14(11-19-21)12-20(4)18(22)15-8-9-16(23-6-2)17(10-15)24-7-3/h8-11,13H,5-7,12H2,1-4H3
InChIKeyGMIDMFASNPPGLB-UHFFFAOYSA-N
XLogP2.97
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 31798331
N-[(4-cyanophenyl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 39858958
3-bromo-5-[(1-ethylpyrazol-4-yl)methyl-methylcarbamoyl]benzoic acid
CID 136544031
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
CID 19619348
2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid
CID 119179457
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 19575699
N-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-5-ethoxy-N-methyl-4-propoxybenzamide
CID 31798676
3-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 86912624
1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 62127437
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 139000916
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]benzoic acid
CID 62126061

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide?
The IUPAC name of 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide (CID 39891647) is 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide is CCOc1ccc(C(=O)N(C)Cc2cnn(CC)c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide?
The InChIKey is GMIDMFASNPPGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-5-21-13-14(11-19-21)12-20(4)18(22)15-8-9-16(23-6-2)17(10-15)24-7-3/h8-11,13H,5-7,12H2,1-4H3.
What are the key properties of 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide?
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide has a molecular weight of 331.42 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 39891647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).