N-(2-methoxyethyl)-1H-indazole-3-carboxamide

C11H13N3O2 — CID 2595305

IUPACN-(2-methoxyethyl)-1H-indazole-3-carboxamide
SMILESCOCCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C11H13N3O2/c1-16-7-6-12-11(15)10-8-4-2-3-5-9(8)13-14-10/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)
InChIKeySHJDLCBLAWTIDH-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.94
Rot. Bonds4

About N-(2-methoxyethyl)-1H-indazole-3-carboxamide

N-(2-methoxyethyl)-1H-indazole-3-carboxamide (PubChem CID 2595305) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1H-indazole-3-carboxamide
PubChem CID2595305
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(2-methoxyethyl)-1H-indazole-3-carboxamide
SMILESCOCCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C11H13N3O2/c1-16-7-6-12-11(15)10-8-4-2-3-5-9(8)13-14-10/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)
InChIKeySHJDLCBLAWTIDH-UHFFFAOYSA-N
XLogP0.94
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1H-indazole-3-carboxamide (CID 2595305) is N-(2-methoxyethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1H-indazole-3-carboxamide is COCCNC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-1H-indazole-3-carboxamide?
The InChIKey is SHJDLCBLAWTIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-16-7-6-12-11(15)10-8-4-2-3-5-9(8)13-14-10/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of N-(2-methoxyethyl)-1H-indazole-3-carboxamide?
N-(2-methoxyethyl)-1H-indazole-3-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 2595305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).