2-(6-chloroindol-1-yl)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]acetamide

C17H16ClN5O — CID 51096811

IUPAC2-(6-chloroindol-1-yl)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)Cn2ccc3ccc(Cl)cc32)n(CCC#N)n1
InChIInChI=1S/C17H16ClN5O/c1-12-9-16(23(21-12)7-2-6-19)20-17(24)11-22-8-5-13-3-4-14(18)10-15(13)22/h3-5,8-10H,2,7,11H2,1H3,(H,20,24)
InChIKeyGOBJHSJCRCMDIZ-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.35
Rot. Bonds5

About 2-(6-chloroindol-1-yl)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]acetamide

2-(6-chloroindol-1-yl)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 51096811) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-(6-chloroindol-1-yl)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(6-chloroindol-1-yl)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]acetamide
PubChem CID51096811
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name2-(6-chloroindol-1-yl)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)Cn2ccc3ccc(Cl)cc32)n(CCC#N)n1
InChIInChI=1S/C17H16ClN5O/c1-12-9-16(23(21-12)7-2-6-19)20-17(24)11-22-8-5-13-3-4-14(18)10-15(13)22/h3-5,8-10H,2,7,11H2,1H3,(H,20,24)
InChIKeyGOBJHSJCRCMDIZ-UHFFFAOYSA-N
XLogP3.35
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindol-1-yl)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-(6-chloroindol-1-yl)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]acetamide (CID 51096811) is 2-(6-chloroindol-1-yl)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(6-chloroindol-1-yl)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-(6-chloroindol-1-yl)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]acetamide is Cc1cc(NC(=O)Cn2ccc3ccc(Cl)cc32)n(CCC#N)n1.
What is the InChIKey of 2-(6-chloroindol-1-yl)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is GOBJHSJCRCMDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-12-9-16(23(21-12)7-2-6-19)20-17(24)11-22-8-5-13-3-4-14(18)10-15(13)22/h3-5,8-10H,2,7,11H2,1H3,(H,20,24).
What are the key properties of 2-(6-chloroindol-1-yl)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]acetamide?
2-(6-chloroindol-1-yl)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 341.80 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindol-1-yl)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 51096811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).