N-(4-cyano-1-methylpyrazol-5-yl)-2-(3,4-diethoxyphenyl)acetamide

C17H20N4O3 — CID 17088858

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-2-(3,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2c(C#N)cnn2C)cc1OCC
InChIInChI=1S/C17H20N4O3/c1-4-23-14-7-6-12(8-15(14)24-5-2)9-16(22)20-17-13(10-18)11-19-21(17)3/h6-8,11H,4-5,9H2,1-3H3,(H,20,22)
InChIKeyRPPHCIUUBRWTFZ-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.27
Rot. Bonds7

About N-(4-cyano-1-methylpyrazol-5-yl)-2-(3,4-diethoxyphenyl)acetamide

N-(4-cyano-1-methylpyrazol-5-yl)-2-(3,4-diethoxyphenyl)acetamide (PubChem CID 17088858) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-2-(3,4-diethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-2-(3,4-diethoxyphenyl)acetamide
PubChem CID17088858
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-2-(3,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2c(C#N)cnn2C)cc1OCC
InChIInChI=1S/C17H20N4O3/c1-4-23-14-7-6-12(8-15(14)24-5-2)9-16(22)20-17-13(10-18)11-19-21(17)3/h6-8,11H,4-5,9H2,1-3H3,(H,20,22)
InChIKeyRPPHCIUUBRWTFZ-UHFFFAOYSA-N
XLogP2.27
TPSA89.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 112723108
2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide
CID 19410975
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103163607
N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide
CID 108760008
N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474027
N-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108737075
methyl 4-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-methylpyrazole-3-carboxylate
CID 19341512
5-[(2-chloro-4-nitrophenoxy)methyl]-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide
CID 19463617
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide
CID 19448690
4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
CID 112723104
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-2-(3,4-diethoxyphenyl)acetamide
CID 19395522
2,4-dichloro-N-[2-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-oxoethyl]benzamide
CID 108759901

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-(3,4-diethoxyphenyl)acetamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-(3,4-diethoxyphenyl)acetamide (CID 17088858) is N-(4-cyano-1-methylpyrazol-5-yl)-2-(3,4-diethoxyphenyl)acetamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-2-(3,4-diethoxyphenyl)acetamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-2-(3,4-diethoxyphenyl)acetamide is CCOc1ccc(CC(=O)Nc2c(C#N)cnn2C)cc1OCC.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-2-(3,4-diethoxyphenyl)acetamide?
The InChIKey is RPPHCIUUBRWTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-4-23-14-7-6-12(8-15(14)24-5-2)9-16(22)20-17-13(10-18)11-19-21(17)3/h6-8,11H,4-5,9H2,1-3H3,(H,20,22).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-2-(3,4-diethoxyphenyl)acetamide?
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3,4-diethoxyphenyl)acetamide has a molecular weight of 328.37 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-2-(3,4-diethoxyphenyl)acetamide is sourced from PubChem (CID 17088858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).