N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide

C18H22N4O2 — CID 47785235

IUPACN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc(C(C)C)cc2)n(CCC#N)n1
InChIInChI=1S/C18H22N4O2/c1-13(2)15-5-7-16(8-6-15)24-12-18(23)20-17-11-14(3)21-22(17)10-4-9-19/h5-8,11,13H,4,10,12H2,1-3H3,(H,20,23)
InChIKeyFLFOEOFTNQRGSI-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.25
Rot. Bonds7

About N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide

N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 47785235) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID47785235
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc(C(C)C)cc2)n(CCC#N)n1
InChIInChI=1S/C18H22N4O2/c1-13(2)15-5-7-16(8-6-15)24-12-18(23)20-17-11-14(3)21-22(17)10-4-9-19/h5-8,11,13H,4,10,12H2,1-3H3,(H,20,23)
InChIKeyFLFOEOFTNQRGSI-UHFFFAOYSA-N
XLogP3.25
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide
CID 51096801
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 71943624
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 51127361
N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 798498
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 51096831
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 43397481
N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17336026
1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea
CID 47200898
N-(2-amino-4,6-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 56773293
N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17342416
5-bromo-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 47785354
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 47785332

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide (CID 47785235) is N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide is Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)n(CCC#N)n1.
What is the InChIKey of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is FLFOEOFTNQRGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(2)15-5-7-16(8-6-15)24-12-18(23)20-17-11-14(3)21-22(17)10-4-9-19/h5-8,11,13H,4,10,12H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 326.40 g/mol, XLogP of 3.25, 7 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]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 47785235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).