N-hexan-2-yl-3-oxo-1H-indazole-2-carboxamide

C14H19N3O2 — CID 70969054

IUPACN-hexan-2-yl-3-oxo-1H-indazole-2-carboxamide
SMILESCCCCC(C)NC(=O)n1[nH]c2ccccc2c1=O
InChIInChI=1S/C14H19N3O2/c1-3-4-7-10(2)15-14(19)17-13(18)11-8-5-6-9-12(11)16-17/h5-6,8-10,16H,3-4,7H2,1-2H3,(H,15,19)
InChIKeyOUAFNTOIUCYPTR-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.47
Rot. Bonds4

About N-hexan-2-yl-3-oxo-1H-indazole-2-carboxamide

N-hexan-2-yl-3-oxo-1H-indazole-2-carboxamide (PubChem CID 70969054) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-hexan-2-yl-3-oxo-1H-indazole-2-carboxamide.

Molecular Properties

Compound NameN-hexan-2-yl-3-oxo-1H-indazole-2-carboxamide
PubChem CID70969054
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-hexan-2-yl-3-oxo-1H-indazole-2-carboxamide
SMILESCCCCC(C)NC(=O)n1[nH]c2ccccc2c1=O
InChIInChI=1S/C14H19N3O2/c1-3-4-7-10(2)15-14(19)17-13(18)11-8-5-6-9-12(11)16-17/h5-6,8-10,16H,3-4,7H2,1-2H3,(H,15,19)
InChIKeyOUAFNTOIUCYPTR-UHFFFAOYSA-N
XLogP2.47
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.47
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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Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-3-oxo-1H-indazole-2-carboxamide?
The IUPAC name of N-hexan-2-yl-3-oxo-1H-indazole-2-carboxamide (CID 70969054) is N-hexan-2-yl-3-oxo-1H-indazole-2-carboxamide.
What is the SMILES notation for N-hexan-2-yl-3-oxo-1H-indazole-2-carboxamide?
The canonical SMILES for N-hexan-2-yl-3-oxo-1H-indazole-2-carboxamide is CCCCC(C)NC(=O)n1[nH]c2ccccc2c1=O.
What is the InChIKey of N-hexan-2-yl-3-oxo-1H-indazole-2-carboxamide?
The InChIKey is OUAFNTOIUCYPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-4-7-10(2)15-14(19)17-13(18)11-8-5-6-9-12(11)16-17/h5-6,8-10,16H,3-4,7H2,1-2H3,(H,15,19).
What are the key properties of N-hexan-2-yl-3-oxo-1H-indazole-2-carboxamide?
N-hexan-2-yl-3-oxo-1H-indazole-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-3-oxo-1H-indazole-2-carboxamide is sourced from PubChem (CID 70969054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).