2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide

C17H23N3O4 — CID 19410975

IUPAC2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2cnn(COC)c2)cc1OCC
InChIInChI=1S/C17H23N3O4/c1-4-23-15-7-6-13(8-16(15)24-5-2)9-17(21)19-14-10-18-20(11-14)12-22-3/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,19,21)
InChIKeyPWLNRCJWQPZZLJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.47
Rot. Bonds9

About 2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide

2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide (PubChem CID 19410975) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide
PubChem CID19410975
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2cnn(COC)c2)cc1OCC
InChIInChI=1S/C17H23N3O4/c1-4-23-15-7-6-13(8-16(15)24-5-2)9-17(21)19-14-10-18-20(11-14)12-22-3/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,19,21)
InChIKeyPWLNRCJWQPZZLJ-UHFFFAOYSA-N
XLogP2.47
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide
CID 19395522
N-[1-(methoxymethyl)pyrazol-4-yl]propanamide
CID 19411093
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide
CID 19338560
1-[3-[[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470734
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552136
3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19544108
1-[2-(3,4-diethoxyphenyl)ethyl]-3-[1-[[4-[2-(3,4-diethoxyphenyl)ethylcarbamothioylamino]pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea
CID 17022217
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 19338493
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19338461
methyl 4-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-methylpyrazole-3-carboxylate
CID 19341512
2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19338545
2-(4-chloropyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-methylpropanamide
CID 19338558

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide (CID 19410975) is 2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide is CCOc1ccc(CC(=O)Nc2cnn(COC)c2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide?
The InChIKey is PWLNRCJWQPZZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-4-23-15-7-6-13(8-16(15)24-5-2)9-17(21)19-14-10-18-20(11-14)12-22-3/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,19,21).
What are the key properties of 2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide?
2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 19410975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).