2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyanomethyl)pyrazol-3-yl]acetamide

C17H16ClN5O2 — CID 95754895

IUPAC2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyanomethyl)pyrazol-3-yl]acetamide
SMILESCC1(C)C(=O)N(CC(=O)Nc2ccn(CC#N)n2)c2ccc(Cl)cc21
InChIInChI=1S/C17H16ClN5O2/c1-17(2)12-9-11(18)3-4-13(12)23(16(17)25)10-15(24)20-14-5-7-22(21-14)8-6-19/h3-5,7,9H,8,10H2,1-2H3,(H,20,21,24)
InChIKeyDXLLGYQAPNXAIK-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.32
Rot. Bonds4

About 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyanomethyl)pyrazol-3-yl]acetamide

2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyanomethyl)pyrazol-3-yl]acetamide (PubChem CID 95754895) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyanomethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyanomethyl)pyrazol-3-yl]acetamide
PubChem CID95754895
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyanomethyl)pyrazol-3-yl]acetamide
SMILESCC1(C)C(=O)N(CC(=O)Nc2ccn(CC#N)n2)c2ccc(Cl)cc21
InChIInChI=1S/C17H16ClN5O2/c1-17(2)12-9-11(18)3-4-13(12)23(16(17)25)10-15(24)20-14-5-7-22(21-14)8-6-19/h3-5,7,9H,8,10H2,1-2H3,(H,20,21,24)
InChIKeyDXLLGYQAPNXAIK-UHFFFAOYSA-N
XLogP2.32
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 53057407
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(2,4-difluorophenyl)acetamide
CID 53057392
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 53057389
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]acetamide
CID 95749342
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 91945450
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide
CID 91948684
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide
CID 110279183
N-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
CID 53057430
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide
CID 110279612
N-(4-methyl-1,3-thiazol-2-yl)-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
CID 20931286
4-tert-butyl-N-[1-(cyanomethyl)pyrazol-3-yl]benzamide
CID 95754984
N-(4-ethylphenyl)-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
CID 53057444

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyanomethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyanomethyl)pyrazol-3-yl]acetamide (CID 95754895) is 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyanomethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyanomethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyanomethyl)pyrazol-3-yl]acetamide is CC1(C)C(=O)N(CC(=O)Nc2ccn(CC#N)n2)c2ccc(Cl)cc21.
What is the InChIKey of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyanomethyl)pyrazol-3-yl]acetamide?
The InChIKey is DXLLGYQAPNXAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-17(2)12-9-11(18)3-4-13(12)23(16(17)25)10-15(24)20-14-5-7-22(21-14)8-6-19/h3-5,7,9H,8,10H2,1-2H3,(H,20,21,24).
What are the key properties of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyanomethyl)pyrazol-3-yl]acetamide?
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyanomethyl)pyrazol-3-yl]acetamide has a molecular weight of 357.80 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyanomethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 95754895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).