3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride

C9H10ClF3N2O2 — CID 71756823

IUPAC3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C9H9F3N2O2.ClH/c10-9(11,12)7-5-3-4(8(15)16)1-2-6(5)13-14-7;/h4H,1-3H2,(H,13,14)(H,15,16);1H
InChIKeyRHESQWGHUYWTIK-UHFFFAOYSA-N
MW270.64 g/mol
LogP2.04
Rot. Bonds1

About 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride

3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride (PubChem CID 71756823) has the molecular formula C9H10ClF3N2O2 and a molecular weight of 270.64 g/mol. Its IUPAC name is 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride
PubChem CID71756823
Molecular FormulaC9H10ClF3N2O2
Molecular Weight270.64 g/mol
Exact Mass270.04
IUPAC Name3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C9H9F3N2O2.ClH/c10-9(11,12)7-5-3-4(8(15)16)1-2-6(5)13-14-7;/h4H,1-3H2,(H,13,14)(H,15,16);1H
InChIKeyRHESQWGHUYWTIK-UHFFFAOYSA-N
XLogP2.04
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride (CID 71756823) is 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride?
The InChIKey is RHESQWGHUYWTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2.ClH/c10-9(11,12)7-5-3-4(8(15)16)1-2-6(5)13-14-7;/h4H,1-3H2,(H,13,14)(H,15,16);1H.
What are the key properties of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride?
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride has a molecular weight of 270.64 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 71756823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).