1-(cyclohexylmethyl)-7-fluoroindazole-3-carboxylic acid

C15H17FN2O2 — CID 68967350

IUPAC1-(cyclohexylmethyl)-7-fluoroindazole-3-carboxylic acid
SMILESO=C(O)c1nn(CC2CCCCC2)c2c(F)cccc12
InChIInChI=1S/C15H17FN2O2/c16-12-8-4-7-11-13(15(19)20)17-18(14(11)12)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,19,20)
InChIKeyDHQIYYSYQDFLSV-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.45
Rot. Bonds3

About 1-(cyclohexylmethyl)-7-fluoroindazole-3-carboxylic acid

1-(cyclohexylmethyl)-7-fluoroindazole-3-carboxylic acid (PubChem CID 68967350) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-7-fluoroindazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-7-fluoroindazole-3-carboxylic acid
PubChem CID68967350
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name1-(cyclohexylmethyl)-7-fluoroindazole-3-carboxylic acid
SMILESO=C(O)c1nn(CC2CCCCC2)c2c(F)cccc12
InChIInChI=1S/C15H17FN2O2/c16-12-8-4-7-11-13(15(19)20)17-18(14(11)12)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,19,20)
InChIKeyDHQIYYSYQDFLSV-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-7-fluoroindazole-3-carboxylic acid?
The IUPAC name of 1-(cyclohexylmethyl)-7-fluoroindazole-3-carboxylic acid (CID 68967350) is 1-(cyclohexylmethyl)-7-fluoroindazole-3-carboxylic acid.
What is the SMILES notation for 1-(cyclohexylmethyl)-7-fluoroindazole-3-carboxylic acid?
The canonical SMILES for 1-(cyclohexylmethyl)-7-fluoroindazole-3-carboxylic acid is O=C(O)c1nn(CC2CCCCC2)c2c(F)cccc12.
What is the InChIKey of 1-(cyclohexylmethyl)-7-fluoroindazole-3-carboxylic acid?
The InChIKey is DHQIYYSYQDFLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-12-8-4-7-11-13(15(19)20)17-18(14(11)12)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,19,20).
What are the key properties of 1-(cyclohexylmethyl)-7-fluoroindazole-3-carboxylic acid?
1-(cyclohexylmethyl)-7-fluoroindazole-3-carboxylic acid has a molecular weight of 276.31 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-7-fluoroindazole-3-carboxylic acid is sourced from PubChem (CID 68967350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).