N-(1H-indazol-6-yl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide

C13H13N5O3 — CID 110703585

IUPACN-(1H-indazol-6-yl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
SMILESCN1NC(=O)C(CC(=O)Nc2ccc3cn[nH]c3c2)C1=O
InChIInChI=1S/C13H13N5O3/c1-18-13(21)9(12(20)17-18)5-11(19)15-8-3-2-7-6-14-16-10(7)4-8/h2-4,6,9H,5H2,1H3,(H,14,16)(H,15,19)(H,17,20)
InChIKeyBVYVGUVBSQIBJD-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.01
Rot. Bonds3

About N-(1H-indazol-6-yl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide

N-(1H-indazol-6-yl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide (PubChem CID 110703585) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
PubChem CID110703585
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC NameN-(1H-indazol-6-yl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
SMILESCN1NC(=O)C(CC(=O)Nc2ccc3cn[nH]c3c2)C1=O
InChIInChI=1S/C13H13N5O3/c1-18-13(21)9(12(20)17-18)5-11(19)15-8-3-2-7-6-14-16-10(7)4-8/h2-4,6,9H,5H2,1H3,(H,14,16)(H,15,19)(H,17,20)
InChIKeyBVYVGUVBSQIBJD-UHFFFAOYSA-N
XLogP0.01
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide?
The IUPAC name of N-(1H-indazol-6-yl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide (CID 110703585) is N-(1H-indazol-6-yl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide is CN1NC(=O)C(CC(=O)Nc2ccc3cn[nH]c3c2)C1=O.
What is the InChIKey of N-(1H-indazol-6-yl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide?
The InChIKey is BVYVGUVBSQIBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-18-13(21)9(12(20)17-18)5-11(19)15-8-3-2-7-6-14-16-10(7)4-8/h2-4,6,9H,5H2,1H3,(H,14,16)(H,15,19)(H,17,20).
What are the key properties of N-(1H-indazol-6-yl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide?
N-(1H-indazol-6-yl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide has a molecular weight of 287.28 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide is sourced from PubChem (CID 110703585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).