2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

C19H21N5O3 — CID 70733083

IUPAC2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCc1nn(C)cc1C(=O)N1CCC2(C1)C(=O)N(CC(N)=O)c1ccccc12
InChIInChI=1S/C19H21N5O3/c1-12-13(9-22(2)21-12)17(26)23-8-7-19(11-23)14-5-3-4-6-15(14)24(18(19)27)10-16(20)25/h3-6,9H,7-8,10-11H2,1-2H3,(H2,20,25)
InChIKeyNLIMOQGJSCRCHF-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.34
Rot. Bonds3

About 2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (PubChem CID 70733083) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
PubChem CID70733083
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCc1nn(C)cc1C(=O)N1CCC2(C1)C(=O)N(CC(N)=O)c1ccccc12
InChIInChI=1S/C19H21N5O3/c1-12-13(9-22(2)21-12)17(26)23-8-7-19(11-23)14-5-3-4-6-15(14)24(18(19)27)10-16(20)25/h3-6,9H,7-8,10-11H2,1-2H3,(H2,20,25)
InChIKeyNLIMOQGJSCRCHF-UHFFFAOYSA-N
XLogP0.34
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The IUPAC name of 2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (CID 70733083) is 2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.
What is the SMILES notation for 2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The canonical SMILES for 2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is Cc1nn(C)cc1C(=O)N1CCC2(C1)C(=O)N(CC(N)=O)c1ccccc12.
What is the InChIKey of 2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The InChIKey is NLIMOQGJSCRCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-13(9-22(2)21-12)17(26)23-8-7-19(11-23)14-5-3-4-6-15(14)24(18(19)27)10-16(20)25/h3-6,9H,7-8,10-11H2,1-2H3,(H2,20,25).
What are the key properties of 2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is sourced from PubChem (CID 70733083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).