5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

C14H20N2O2 — CID 25161462

IUPAC5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CC(C1CCCCC1)CC2
InChIInChI=1S/C14H20N2O2/c17-14(18)13-11-8-10(6-7-12(11)15-16-13)9-4-2-1-3-5-9/h9-10H,1-8H2,(H,15,16)(H,17,18)
InChIKeyUJNZWNGXQYJJGP-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.79
Rot. Bonds2

About 5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (PubChem CID 25161462) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
PubChem CID25161462
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CC(C1CCCCC1)CC2
InChIInChI=1S/C14H20N2O2/c17-14(18)13-11-8-10(6-7-12(11)15-16-13)9-4-2-1-3-5-9/h9-10H,1-8H2,(H,15,16)(H,17,18)
InChIKeyUJNZWNGXQYJJGP-UHFFFAOYSA-N
XLogP2.79
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The IUPAC name of 5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (CID 25161462) is 5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The canonical SMILES for 5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is O=C(O)c1n[nH]c2c1CC(C1CCCCC1)CC2.
What is the InChIKey of 5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The InChIKey is UJNZWNGXQYJJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(18)13-11-8-10(6-7-12(11)15-16-13)9-4-2-1-3-5-9/h9-10H,1-8H2,(H,15,16)(H,17,18).
What are the key properties of 5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 25161462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).