N-(1-benzyl-5-oxopyrrolidin-3-yl)-1H-indazole-5-carboxamide

C19H18N4O2 — CID 22933896

IUPACN-(1-benzyl-5-oxopyrrolidin-3-yl)-1H-indazole-5-carboxamide
SMILESO=C(NC1CC(=O)N(Cc2ccccc2)C1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C19H18N4O2/c24-18-9-16(12-23(18)11-13-4-2-1-3-5-13)21-19(25)14-6-7-17-15(8-14)10-20-22-17/h1-8,10,16H,9,11-12H2,(H,20,22)(H,21,25)
InChIKeyAJUYQYJLHGZEER-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.09
Rot. Bonds4

About N-(1-benzyl-5-oxopyrrolidin-3-yl)-1H-indazole-5-carboxamide

N-(1-benzyl-5-oxopyrrolidin-3-yl)-1H-indazole-5-carboxamide (PubChem CID 22933896) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(1-benzyl-5-oxopyrrolidin-3-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-5-oxopyrrolidin-3-yl)-1H-indazole-5-carboxamide
PubChem CID22933896
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-(1-benzyl-5-oxopyrrolidin-3-yl)-1H-indazole-5-carboxamide
SMILESO=C(NC1CC(=O)N(Cc2ccccc2)C1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C19H18N4O2/c24-18-9-16(12-23(18)11-13-4-2-1-3-5-13)21-19(25)14-6-7-17-15(8-14)10-20-22-17/h1-8,10,16H,9,11-12H2,(H,20,22)(H,21,25)
InChIKeyAJUYQYJLHGZEER-UHFFFAOYSA-N
XLogP2.09
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-oxopyrrolidin-3-yl)-1H-indazole-5-carboxamide?
The IUPAC name of N-(1-benzyl-5-oxopyrrolidin-3-yl)-1H-indazole-5-carboxamide (CID 22933896) is N-(1-benzyl-5-oxopyrrolidin-3-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(1-benzyl-5-oxopyrrolidin-3-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-(1-benzyl-5-oxopyrrolidin-3-yl)-1H-indazole-5-carboxamide is O=C(NC1CC(=O)N(Cc2ccccc2)C1)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-(1-benzyl-5-oxopyrrolidin-3-yl)-1H-indazole-5-carboxamide?
The InChIKey is AJUYQYJLHGZEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18-9-16(12-23(18)11-13-4-2-1-3-5-13)21-19(25)14-6-7-17-15(8-14)10-20-22-17/h1-8,10,16H,9,11-12H2,(H,20,22)(H,21,25).
What are the key properties of N-(1-benzyl-5-oxopyrrolidin-3-yl)-1H-indazole-5-carboxamide?
N-(1-benzyl-5-oxopyrrolidin-3-yl)-1H-indazole-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-oxopyrrolidin-3-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 22933896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).