N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide

C15H16N4O2 — CID 71943624

IUPACN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2CCC#N)cc1
InChIInChI=1S/C15H16N4O2/c1-11-10-14(19(18-11)9-3-8-16)17-15(20)12-4-6-13(21-2)7-5-12/h4-7,10H,3,9H2,1-2H3,(H,17,20)
InChIKeyBORMXSHRESKUHY-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.37
Rot. Bonds5

About N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide

N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide (PubChem CID 71943624) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
PubChem CID71943624
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2CCC#N)cc1
InChIInChI=1S/C15H16N4O2/c1-11-10-14(19(18-11)9-3-8-16)17-15(20)12-4-6-13(21-2)7-5-12/h4-7,10H,3,9H2,1-2H3,(H,17,20)
InChIKeyBORMXSHRESKUHY-UHFFFAOYSA-N
XLogP2.37
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 47785354
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide
CID 51096801
methyl 5-[[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51096845
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 47785235
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
2-bromo-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
CID 47017202
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide
CID 55530644
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 51096831
1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea
CID 47200898
1-(4-methoxyphenyl)-3-(5-methyl-2-propylpyrazol-3-yl)urea
CID 39853401
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
N-(5-cyano-1,2-dimethylimidazol-4-yl)-4-methoxybenzamide
CID 134114036

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide (CID 71943624) is N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(C)nn2CCC#N)cc1.
What is the InChIKey of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide?
The InChIKey is BORMXSHRESKUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-11-10-14(19(18-11)9-3-8-16)17-15(20)12-4-6-13(21-2)7-5-12/h4-7,10H,3,9H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide?
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide has a molecular weight of 284.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 71943624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).