4-(difluoromethoxy)-N-(2-methoxyethyl)-2H-indazole-5-carboxamide

C12H13F2N3O3 — CID 141431064

IUPAC4-(difluoromethoxy)-N-(2-methoxyethyl)-2H-indazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2n[nH]cc2c1OC(F)F
InChIInChI=1S/C12H13F2N3O3/c1-19-5-4-15-11(18)7-2-3-9-8(6-16-17-9)10(7)20-12(13)14/h2-3,6,12H,4-5H2,1H3,(H,15,18)(H,16,17)
InChIKeyLTRKDAVNTKAWNV-UHFFFAOYSA-N
MW285.25 g/mol
LogP1.54
Rot. Bonds6

About 4-(difluoromethoxy)-N-(2-methoxyethyl)-2H-indazole-5-carboxamide

4-(difluoromethoxy)-N-(2-methoxyethyl)-2H-indazole-5-carboxamide (PubChem CID 141431064) has the molecular formula C12H13F2N3O3 and a molecular weight of 285.25 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(2-methoxyethyl)-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(2-methoxyethyl)-2H-indazole-5-carboxamide
PubChem CID141431064
Molecular FormulaC12H13F2N3O3
Molecular Weight285.25 g/mol
Exact Mass285.09
IUPAC Name4-(difluoromethoxy)-N-(2-methoxyethyl)-2H-indazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2n[nH]cc2c1OC(F)F
InChIInChI=1S/C12H13F2N3O3/c1-19-5-4-15-11(18)7-2-3-9-8(6-16-17-9)10(7)20-12(13)14/h2-3,6,12H,4-5H2,1H3,(H,15,18)(H,16,17)
InChIKeyLTRKDAVNTKAWNV-UHFFFAOYSA-N
XLogP1.54
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-(difluoromethoxy)-N-(2-methoxyethyl)-2H-indazole-5-carboxamide?
The IUPAC name of 4-(difluoromethoxy)-N-(2-methoxyethyl)-2H-indazole-5-carboxamide (CID 141431064) is 4-(difluoromethoxy)-N-(2-methoxyethyl)-2H-indazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(2-methoxyethyl)-2H-indazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(2-methoxyethyl)-2H-indazole-5-carboxamide is COCCNC(=O)c1ccc2n[nH]cc2c1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-(2-methoxyethyl)-2H-indazole-5-carboxamide?
The InChIKey is LTRKDAVNTKAWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O3/c1-19-5-4-15-11(18)7-2-3-9-8(6-16-17-9)10(7)20-12(13)14/h2-3,6,12H,4-5H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-(difluoromethoxy)-N-(2-methoxyethyl)-2H-indazole-5-carboxamide?
4-(difluoromethoxy)-N-(2-methoxyethyl)-2H-indazole-5-carboxamide has a molecular weight of 285.25 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(2-methoxyethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 141431064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).