ethyl 1-(3-methoxypropyl)indazole-3-carboxylate

C14H18N2O3 — CID 90286417

IUPACethyl 1-(3-methoxypropyl)indazole-3-carboxylate
SMILESCCOC(=O)c1nn(CCCOC)c2ccccc12
InChIInChI=1S/C14H18N2O3/c1-3-19-14(17)13-11-7-4-5-8-12(11)16(15-13)9-6-10-18-2/h4-5,7-8H,3,6,9-10H2,1-2H3
InChIKeyXQHXICIROLIUIC-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.25
Rot. Bonds6

About ethyl 1-(3-methoxypropyl)indazole-3-carboxylate

ethyl 1-(3-methoxypropyl)indazole-3-carboxylate (PubChem CID 90286417) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 1-(3-methoxypropyl)indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methoxypropyl)indazole-3-carboxylate
PubChem CID90286417
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nameethyl 1-(3-methoxypropyl)indazole-3-carboxylate
SMILESCCOC(=O)c1nn(CCCOC)c2ccccc12
InChIInChI=1S/C14H18N2O3/c1-3-19-14(17)13-11-7-4-5-8-12(11)16(15-13)9-6-10-18-2/h4-5,7-8H,3,6,9-10H2,1-2H3
InChIKeyXQHXICIROLIUIC-UHFFFAOYSA-N
XLogP2.25
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(3-methoxypropyl)indazole-3-carboxylate
CID 68501253
ethyl 1-[(3-methyloxiran-2-yl)methyl]indazole-3-carboxylate
CID 141412078
methyl 1-(3-cyanopropyl)indazole-3-carboxylate
CID 68892890
[2-(2-methoxyethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate
CID 7167911
[2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate
CID 7167894
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
4-methoxy-1-(1-methylindazol-3-yl)butan-1-one
CID 103125569
3-phenoxypropyl 4-oxo-3-pentylphthalazine-1-carboxylate
CID 55568775
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate
CID 16502854
methyl 5-[3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoate
CID 102333976
5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one
CID 112754729
ethyl 1-(3-methoxypropyl)-5-propyltriazole-4-carboxylate
CID 103106084

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methoxypropyl)indazole-3-carboxylate?
The IUPAC name of ethyl 1-(3-methoxypropyl)indazole-3-carboxylate (CID 90286417) is ethyl 1-(3-methoxypropyl)indazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-methoxypropyl)indazole-3-carboxylate?
The canonical SMILES for ethyl 1-(3-methoxypropyl)indazole-3-carboxylate is CCOC(=O)c1nn(CCCOC)c2ccccc12.
What is the InChIKey of ethyl 1-(3-methoxypropyl)indazole-3-carboxylate?
The InChIKey is XQHXICIROLIUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-19-14(17)13-11-7-4-5-8-12(11)16(15-13)9-6-10-18-2/h4-5,7-8H,3,6,9-10H2,1-2H3.
What are the key properties of ethyl 1-(3-methoxypropyl)indazole-3-carboxylate?
ethyl 1-(3-methoxypropyl)indazole-3-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methoxypropyl)indazole-3-carboxylate is sourced from PubChem (CID 90286417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).