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

C15H16N4O — CID 2320453

IUPACN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C)nn2CCC#N)cc1
InChIInChI=1S/C15H16N4O/c1-11-4-6-13(7-5-11)15(20)17-14-10-12(2)18-19(14)9-3-8-16/h4-7,10H,3,9H2,1-2H3,(H,17,20)
InChIKeyRYKYUXXMHMCNPH-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.67
Rot. Bonds4

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

N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide (PubChem CID 2320453) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide
PubChem CID2320453
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C)nn2CCC#N)cc1
InChIInChI=1S/C15H16N4O/c1-11-4-6-13(7-5-11)15(20)17-14-10-12(2)18-19(14)9-3-8-16/h4-7,10H,3,9H2,1-2H3,(H,17,20)
InChIKeyRYKYUXXMHMCNPH-UHFFFAOYSA-N
XLogP2.67
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide?
The IUPAC name of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide (CID 2320453) is N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(C)nn2CCC#N)cc1.
What is the InChIKey of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide?
The InChIKey is RYKYUXXMHMCNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11-4-6-13(7-5-11)15(20)17-14-10-12(2)18-19(14)9-3-8-16/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-methylbenzamide?
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide has a molecular weight of 268.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide is sourced from PubChem (CID 2320453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).