5-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-3-carboxamide

C13H15N5O2 — CID 106249516

IUPAC5-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3ccc(N)cc23)C1=O
InChIInChI=1S/C13H15N5O2/c1-18-5-4-10(13(18)20)15-12(19)11-8-6-7(14)2-3-9(8)16-17-11/h2-3,6,10H,4-5,14H2,1H3,(H,15,19)(H,16,17)
InChIKeyWJECXIXJZDVDCY-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.11
Rot. Bonds2

About 5-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-3-carboxamide

5-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-3-carboxamide (PubChem CID 106249516) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 5-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-3-carboxamide
PubChem CID106249516
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name5-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3ccc(N)cc23)C1=O
InChIInChI=1S/C13H15N5O2/c1-18-5-4-10(13(18)20)15-12(19)11-8-6-7(14)2-3-9(8)16-17-11/h2-3,6,10H,4-5,14H2,1H3,(H,15,19)(H,16,17)
InChIKeyWJECXIXJZDVDCY-UHFFFAOYSA-N
XLogP0.11
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-3-carboxamide (CID 106249516) is 5-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-3-carboxamide is CN1CCC(NC(=O)c2n[nH]c3ccc(N)cc23)C1=O.
What is the InChIKey of 5-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-3-carboxamide?
The InChIKey is WJECXIXJZDVDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-18-5-4-10(13(18)20)15-12(19)11-8-6-7(14)2-3-9(8)16-17-11/h2-3,6,10H,4-5,14H2,1H3,(H,15,19)(H,16,17).
What are the key properties of 5-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-3-carboxamide?
5-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-3-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 106249516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).