5-fluoropentyl 1H-indazole-3-carboxylate

C13H15FN2O2 — CID 139267009

IUPAC5-fluoropentyl 1H-indazole-3-carboxylate
SMILESO=C(OCCCCCF)c1n[nH]c2ccccc12
InChIInChI=1S/C13H15FN2O2/c14-8-4-1-5-9-18-13(17)12-10-6-2-3-7-11(10)15-16-12/h2-3,6-7H,1,4-5,8-9H2,(H,15,16)
InChIKeyDZJMOWXGHOSTJI-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.86
Rot. Bonds6

About 5-fluoropentyl 1H-indazole-3-carboxylate

5-fluoropentyl 1H-indazole-3-carboxylate (PubChem CID 139267009) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5-fluoropentyl 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name5-fluoropentyl 1H-indazole-3-carboxylate
PubChem CID139267009
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name5-fluoropentyl 1H-indazole-3-carboxylate
SMILESO=C(OCCCCCF)c1n[nH]c2ccccc12
InChIInChI=1S/C13H15FN2O2/c14-8-4-1-5-9-18-13(17)12-10-6-2-3-7-11(10)15-16-12/h2-3,6-7H,1,4-5,8-9H2,(H,15,16)
InChIKeyDZJMOWXGHOSTJI-UHFFFAOYSA-N
XLogP2.86
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Indazole-3-carboxylic acid
CID 78250
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
1H-Pyrazole-3-carboxylic acid, 5-phenyl-, ethyl ester
CID 138628
methyl 1H-indazole-3-carboxylate
CID 657476
(1S,7aR)-hexahydro-1H-pyrrolizin-1-ylmethyl 1H-indazole-3-carboxylate
CID 11508052
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2085783
2-phenoxyethyl 1H-indazole-3-carboxylate
CID 2088069
[2-(methylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2096530
[2-oxo-2-(propylamino)ethyl] 1H-indazole-3-carboxylate
CID 2117945
methyl 5-[(E)-2-phenylethenyl]-1H-pyrazole-3-carboxylate
CID 5769095
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 42601208
methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate
CID 2060300

Frequently Asked Questions

What is the IUPAC name of 5-fluoropentyl 1H-indazole-3-carboxylate?
The IUPAC name of 5-fluoropentyl 1H-indazole-3-carboxylate (CID 139267009) is 5-fluoropentyl 1H-indazole-3-carboxylate.
What is the SMILES notation for 5-fluoropentyl 1H-indazole-3-carboxylate?
The canonical SMILES for 5-fluoropentyl 1H-indazole-3-carboxylate is O=C(OCCCCCF)c1n[nH]c2ccccc12.
What is the InChIKey of 5-fluoropentyl 1H-indazole-3-carboxylate?
The InChIKey is DZJMOWXGHOSTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-8-4-1-5-9-18-13(17)12-10-6-2-3-7-11(10)15-16-12/h2-3,6-7H,1,4-5,8-9H2,(H,15,16).
What are the key properties of 5-fluoropentyl 1H-indazole-3-carboxylate?
5-fluoropentyl 1H-indazole-3-carboxylate has a molecular weight of 250.27 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropentyl 1H-indazole-3-carboxylate is sourced from PubChem (CID 139267009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).