3-chloro-5-propan-2-yl-2H-indazole

C10H11ClN2 — CID 89476289

IUPAC3-chloro-5-propan-2-yl-2H-indazole
SMILESCC(C)c1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C10H11ClN2/c1-6(2)7-3-4-9-8(5-7)10(11)13-12-9/h3-6H,1-2H3,(H,12,13)
InChIKeyDDDXDDDXPNKNIY-UHFFFAOYSA-N
MW194.66 g/mol
LogP3.34
Rot. Bonds1

About 3-chloro-5-propan-2-yl-2H-indazole

3-chloro-5-propan-2-yl-2H-indazole (PubChem CID 89476289) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 3-chloro-5-propan-2-yl-2H-indazole.

Molecular Properties

Compound Name3-chloro-5-propan-2-yl-2H-indazole
PubChem CID89476289
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name3-chloro-5-propan-2-yl-2H-indazole
SMILESCC(C)c1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C10H11ClN2/c1-6(2)7-3-4-9-8(5-7)10(11)13-12-9/h3-6H,1-2H3,(H,12,13)
InChIKeyDDDXDDDXPNKNIY-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 3-chloro-5-propan-2-yl-2H-indazole?
The IUPAC name of 3-chloro-5-propan-2-yl-2H-indazole (CID 89476289) is 3-chloro-5-propan-2-yl-2H-indazole.
What is the SMILES notation for 3-chloro-5-propan-2-yl-2H-indazole?
The canonical SMILES for 3-chloro-5-propan-2-yl-2H-indazole is CC(C)c1ccc2n[nH]c(Cl)c2c1.
What is the InChIKey of 3-chloro-5-propan-2-yl-2H-indazole?
The InChIKey is DDDXDDDXPNKNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-6(2)7-3-4-9-8(5-7)10(11)13-12-9/h3-6H,1-2H3,(H,12,13).
What are the key properties of 3-chloro-5-propan-2-yl-2H-indazole?
3-chloro-5-propan-2-yl-2H-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 3-chloro-5-propan-2-yl-2H-indazole is sourced from PubChem (CID 89476289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).