1-(5-fluoropentyl)indazole-3-carboxylic acid

C13H15FN2O2 — CID 102334108

IUPAC1-(5-fluoropentyl)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(CCCCCF)c2ccccc12
InChIInChI=1S/C13H15FN2O2/c14-8-4-1-5-9-16-11-7-3-2-6-10(11)12(15-16)13(17)18/h2-3,6-7H,1,4-5,8-9H2,(H,17,18)
InChIKeyKETGGOUVOCNXPO-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.87
Rot. Bonds6

About 1-(5-fluoropentyl)indazole-3-carboxylic acid

1-(5-fluoropentyl)indazole-3-carboxylic acid (PubChem CID 102334108) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-(5-fluoropentyl)indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoropentyl)indazole-3-carboxylic acid
PubChem CID102334108
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-(5-fluoropentyl)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(CCCCCF)c2ccccc12
InChIInChI=1S/C13H15FN2O2/c14-8-4-1-5-9-16-11-7-3-2-6-10(11)12(15-16)13(17)18/h2-3,6-7H,1,4-5,8-9H2,(H,17,18)
InChIKeyKETGGOUVOCNXPO-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 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 ≤ 52.87
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

1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid
CID 64566513
1-(3-methylsulfonylpropyl)indazole-3-carboxylic acid
CID 55158701
1-[3-(2,2,2-trifluoroethoxy)propyl]indazole-3-carboxylic acid
CID 63106484
1-but-3-enylindazole-3-carboxylic acid
CID 18695576
(2S)-4-deuterio-2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 162432617
(2S)-2-[[1-(4-fluorobutyl)indazole-3-carbonyl]amino]-4-hydroxy-3,3-dimethylbutanoic acid
CID 166451397
quinolin-8-yl 1-(5-fluoropentyl)indazole-3-carboxylate
CID 118796524
1-(2-propan-2-ylsulfonylethyl)indazole-3-carboxylic acid
CID 106726410
1-(2-tert-butylsulfonylethyl)indazole-3-carboxylic acid
CID 106726412
1-(2-methylprop-2-enyl)indazole-3-carboxylic acid
CID 18695551
1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid
CID 11515406
N-[2-(3-carbamoylphenyl)propan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide
CID 156818007

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropentyl)indazole-3-carboxylic acid?
The IUPAC name of 1-(5-fluoropentyl)indazole-3-carboxylic acid (CID 102334108) is 1-(5-fluoropentyl)indazole-3-carboxylic acid.
What is the SMILES notation for 1-(5-fluoropentyl)indazole-3-carboxylic acid?
The canonical SMILES for 1-(5-fluoropentyl)indazole-3-carboxylic acid is O=C(O)c1nn(CCCCCF)c2ccccc12.
What is the InChIKey of 1-(5-fluoropentyl)indazole-3-carboxylic acid?
The InChIKey is KETGGOUVOCNXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-8-4-1-5-9-16-11-7-3-2-6-10(11)12(15-16)13(17)18/h2-3,6-7H,1,4-5,8-9H2,(H,17,18).
What are the key properties of 1-(5-fluoropentyl)indazole-3-carboxylic acid?
1-(5-fluoropentyl)indazole-3-carboxylic acid has a molecular weight of 250.27 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropentyl)indazole-3-carboxylic acid is sourced from PubChem (CID 102334108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).