4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole

C13H13ClN2 — CID 71128963

IUPAC4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESClc1ccc(C2CCCc3[nH]ncc32)cc1
InChIInChI=1S/C13H13ClN2/c14-10-6-4-9(5-7-10)11-2-1-3-13-12(11)8-15-16-13/h4-8,11H,1-3H2,(H,15,16)
InChIKeyNBXWUICSFPPQTB-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.53
Rot. Bonds1

About 4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole

4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 71128963) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole
PubChem CID71128963
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESClc1ccc(C2CCCc3[nH]ncc32)cc1
InChIInChI=1S/C13H13ClN2/c14-10-6-4-9(5-7-10)11-2-1-3-13-12(11)8-15-16-13/h4-8,11H,1-3H2,(H,15,16)
InChIKeyNBXWUICSFPPQTB-UHFFFAOYSA-N
XLogP3.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole (CID 71128963) is 4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole is Clc1ccc(C2CCCc3[nH]ncc32)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is NBXWUICSFPPQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-10-6-4-9(5-7-10)11-2-1-3-13-12(11)8-15-16-13/h4-8,11H,1-3H2,(H,15,16).
What are the key properties of 4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole?
4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 232.71 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 71128963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).