6-chloro-4-propan-2-yl-1H-indazole

C10H11ClN2 — CID 118042554

IUPAC6-chloro-4-propan-2-yl-1H-indazole
SMILESCC(C)c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C10H11ClN2/c1-6(2)8-3-7(11)4-10-9(8)5-12-13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyIUTSWFBZQNURNB-UHFFFAOYSA-N
MW194.66 g/mol
LogP3.34
Rot. Bonds1

About 6-chloro-4-propan-2-yl-1H-indazole

6-chloro-4-propan-2-yl-1H-indazole (PubChem CID 118042554) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 6-chloro-4-propan-2-yl-1H-indazole.

Molecular Properties

Compound Name6-chloro-4-propan-2-yl-1H-indazole
PubChem CID118042554
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name6-chloro-4-propan-2-yl-1H-indazole
SMILESCC(C)c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C10H11ClN2/c1-6(2)8-3-7(11)4-10-9(8)5-12-13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyIUTSWFBZQNURNB-UHFFFAOYSA-N
XLogP3.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-propan-2-yl-1H-indazole?
The IUPAC name of 6-chloro-4-propan-2-yl-1H-indazole (CID 118042554) is 6-chloro-4-propan-2-yl-1H-indazole.
What is the SMILES notation for 6-chloro-4-propan-2-yl-1H-indazole?
The canonical SMILES for 6-chloro-4-propan-2-yl-1H-indazole is CC(C)c1cc(Cl)cc2[nH]ncc12.
What is the InChIKey of 6-chloro-4-propan-2-yl-1H-indazole?
The InChIKey is IUTSWFBZQNURNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-6(2)8-3-7(11)4-10-9(8)5-12-13-10/h3-6H,1-2H3,(H,12,13).
What are the key properties of 6-chloro-4-propan-2-yl-1H-indazole?
6-chloro-4-propan-2-yl-1H-indazole has a molecular weight of 194.66 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-propan-2-yl-1H-indazole is sourced from PubChem (CID 118042554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).