N-methyl-3-oxo-1H-indazole-2-carboxamide

C9H9N3O2 — CID 12701768

IUPACN-methyl-3-oxo-1H-indazole-2-carboxamide
SMILESCNC(=O)n1[nH]c2ccccc2c1=O
InChIInChI=1S/C9H9N3O2/c1-10-9(14)12-8(13)6-4-2-3-5-7(6)11-12/h2-5,11H,1H3,(H,10,14)
InChIKeyBQDOWVFZQNWQHL-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.52
Rot. Bonds

About N-methyl-3-oxo-1H-indazole-2-carboxamide

N-methyl-3-oxo-1H-indazole-2-carboxamide (PubChem CID 12701768) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is N-methyl-3-oxo-1H-indazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-oxo-1H-indazole-2-carboxamide
PubChem CID12701768
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC NameN-methyl-3-oxo-1H-indazole-2-carboxamide
SMILESCNC(=O)n1[nH]c2ccccc2c1=O
InChIInChI=1S/C9H9N3O2/c1-10-9(14)12-8(13)6-4-2-3-5-7(6)11-12/h2-5,11H,1H3,(H,10,14)
InChIKeyBQDOWVFZQNWQHL-UHFFFAOYSA-N
XLogP0.52
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2,3-dihydro-1H-indazol-3-one
CID 350589
2-Benzyl-1,2-dihydro-indazol-3-one
CID 411523
2-methyl-1H-indazol-3(2H)-one
CID 590513
2-butyl-1,2-dihydro-3H-indazol-3-one
CID 163570
2-Phenethyl-1,2-dihydro-indazol-3-one
CID 14898714
2-(3-Phenyl-propyl)-1,2-dihydro-indazol-3-one
CID 14898717
2-(4-Phenyl-butyl)-1,2-dihydro-indazol-3-one
CID 14898718
3-oxo-N-pentyl-1,2-dihydroindazole-4-carboxamide
CID 14898748
2-methyl-3-oxo-N-pentyl-1H-indazole-4-carboxamide
CID 14898751
2-(Propan-2-yl)-2,3-dihydro-1H-indazol-3-one
CID 51361321
2-(2-Hydroxyethyl)-1,2-dihydro-3H-indazol-3-one
CID 44378005
1-Propyl-3-[[2-(propylcarbamoylamino)benzoyl]amino]urea
CID 493581

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxo-1H-indazole-2-carboxamide?
The IUPAC name of N-methyl-3-oxo-1H-indazole-2-carboxamide (CID 12701768) is N-methyl-3-oxo-1H-indazole-2-carboxamide.
What is the SMILES notation for N-methyl-3-oxo-1H-indazole-2-carboxamide?
The canonical SMILES for N-methyl-3-oxo-1H-indazole-2-carboxamide is CNC(=O)n1[nH]c2ccccc2c1=O.
What is the InChIKey of N-methyl-3-oxo-1H-indazole-2-carboxamide?
The InChIKey is BQDOWVFZQNWQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-10-9(14)12-8(13)6-4-2-3-5-7(6)11-12/h2-5,11H,1H3,(H,10,14).
What are the key properties of N-methyl-3-oxo-1H-indazole-2-carboxamide?
N-methyl-3-oxo-1H-indazole-2-carboxamide has a molecular weight of 191.19 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-1H-indazole-2-carboxamide is sourced from PubChem (CID 12701768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).