2-methyl-3-oxo-N-pentyl-1H-indazole-4-carboxamide

C14H19N3O2 — CID 14898751

IUPAC2-methyl-3-oxo-N-pentyl-1H-indazole-4-carboxamide
SMILESCCCCCNC(=O)c1cccc2[nH]n(C)c(=O)c12
InChIInChI=1S/C14H19N3O2/c1-3-4-5-9-15-13(18)10-7-6-8-11-12(10)14(19)17(2)16-11/h6-8,16H,3-5,9H2,1-2H3,(H,15,18)
InChIKeySHXZUXFIARSPIQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.79
Rot. Bonds5

About 2-methyl-3-oxo-N-pentyl-1H-indazole-4-carboxamide

2-methyl-3-oxo-N-pentyl-1H-indazole-4-carboxamide (PubChem CID 14898751) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-pentyl-1H-indazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-pentyl-1H-indazole-4-carboxamide
PubChem CID14898751
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-methyl-3-oxo-N-pentyl-1H-indazole-4-carboxamide
SMILESCCCCCNC(=O)c1cccc2[nH]n(C)c(=O)c12
InChIInChI=1S/C14H19N3O2/c1-3-4-5-9-15-13(18)10-7-6-8-11-12(10)14(19)17(2)16-11/h6-8,16H,3-5,9H2,1-2H3,(H,15,18)
InChIKeySHXZUXFIARSPIQ-UHFFFAOYSA-N
XLogP1.79
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-pentyl-1H-indazole-4-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-pentyl-1H-indazole-4-carboxamide (CID 14898751) is 2-methyl-3-oxo-N-pentyl-1H-indazole-4-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-pentyl-1H-indazole-4-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-pentyl-1H-indazole-4-carboxamide is CCCCCNC(=O)c1cccc2[nH]n(C)c(=O)c12.
What is the InChIKey of 2-methyl-3-oxo-N-pentyl-1H-indazole-4-carboxamide?
The InChIKey is SHXZUXFIARSPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-4-5-9-15-13(18)10-7-6-8-11-12(10)14(19)17(2)16-11/h6-8,16H,3-5,9H2,1-2H3,(H,15,18).
What are the key properties of 2-methyl-3-oxo-N-pentyl-1H-indazole-4-carboxamide?
2-methyl-3-oxo-N-pentyl-1H-indazole-4-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-pentyl-1H-indazole-4-carboxamide is sourced from PubChem (CID 14898751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).