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

C14H20N2 — CID 166843518

IUPAC5-butan-2-yl-3-propan-2-yl-2H-indazole
SMILESCCC(C)c1ccc2n[nH]c(C(C)C)c2c1
InChIInChI=1S/C14H20N2/c1-5-10(4)11-6-7-13-12(8-11)14(9(2)3)16-15-13/h6-10H,5H2,1-4H3,(H,15,16)
InChIKeyKFVHHTHGFXCJPV-UHFFFAOYSA-N
MW216.33 g/mol
LogP4.20
Rot. Bonds3

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

5-butan-2-yl-3-propan-2-yl-2H-indazole (PubChem CID 166843518) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5-butan-2-yl-3-propan-2-yl-2H-indazole.

Molecular Properties

Compound Name5-butan-2-yl-3-propan-2-yl-2H-indazole
PubChem CID166843518
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name5-butan-2-yl-3-propan-2-yl-2H-indazole
SMILESCCC(C)c1ccc2n[nH]c(C(C)C)c2c1
InChIInChI=1S/C14H20N2/c1-5-10(4)11-6-7-13-12(8-11)14(9(2)3)16-15-13/h6-10H,5H2,1-4H3,(H,15,16)
InChIKeyKFVHHTHGFXCJPV-UHFFFAOYSA-N
XLogP4.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-propan-2-yl-2H-indazole?
The IUPAC name of 5-butan-2-yl-3-propan-2-yl-2H-indazole (CID 166843518) is 5-butan-2-yl-3-propan-2-yl-2H-indazole.
What is the SMILES notation for 5-butan-2-yl-3-propan-2-yl-2H-indazole?
The canonical SMILES for 5-butan-2-yl-3-propan-2-yl-2H-indazole is CCC(C)c1ccc2n[nH]c(C(C)C)c2c1.
What is the InChIKey of 5-butan-2-yl-3-propan-2-yl-2H-indazole?
The InChIKey is KFVHHTHGFXCJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-10(4)11-6-7-13-12(8-11)14(9(2)3)16-15-13/h6-10H,5H2,1-4H3,(H,15,16).
What are the key properties of 5-butan-2-yl-3-propan-2-yl-2H-indazole?
5-butan-2-yl-3-propan-2-yl-2H-indazole has a molecular weight of 216.33 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-propan-2-yl-2H-indazole is sourced from PubChem (CID 166843518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).