3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-(2-methylpropyl)propanamide

C16H26N4O — CID 134058992

IUPAC3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-(2-methylpropyl)propanamide
SMILESCc1nn(CCC#N)c(C)c1CCC(=O)N(C)CC(C)C
InChIInChI=1S/C16H26N4O/c1-12(2)11-19(5)16(21)8-7-15-13(3)18-20(14(15)4)10-6-9-17/h12H,6-8,10-11H2,1-5H3
InChIKeyFWIRBJAMQCLJRC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.46
Rot. Bonds7

About 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-(2-methylpropyl)propanamide

3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-(2-methylpropyl)propanamide (PubChem CID 134058992) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-(2-methylpropyl)propanamide
PubChem CID134058992
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-(2-methylpropyl)propanamide
SMILESCc1nn(CCC#N)c(C)c1CCC(=O)N(C)CC(C)C
InChIInChI=1S/C16H26N4O/c1-12(2)11-19(5)16(21)8-7-15-13(3)18-20(14(15)4)10-6-9-17/h12H,6-8,10-11H2,1-5H3
InChIKeyFWIRBJAMQCLJRC-UHFFFAOYSA-N
XLogP2.46
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-(2-methylpropyl)propanamide (CID 134058992) is 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-(2-methylpropyl)propanamide is Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)CC(C)C.
What is the InChIKey of 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is FWIRBJAMQCLJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)11-19(5)16(21)8-7-15-13(3)18-20(14(15)4)10-6-9-17/h12H,6-8,10-11H2,1-5H3.
What are the key properties of 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-(2-methylpropyl)propanamide?
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 134058992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).