1-(6-butan-2-yl-3-pyridinyl)indazole

C16H17N3 — CID 175620013

IUPAC1-(6-butan-2-yl-3-pyridinyl)indazole
SMILESCCC(C)c1ccc(-n2ncc3ccccc32)cn1
InChIInChI=1S/C16H17N3/c1-3-12(2)15-9-8-14(11-17-15)19-16-7-5-4-6-13(16)10-18-19/h4-12H,3H2,1-2H3
InChIKeyQJRLVXPBXUIDKZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.93
Rot. Bonds3

About 1-(6-butan-2-yl-3-pyridinyl)indazole

1-(6-butan-2-yl-3-pyridinyl)indazole (PubChem CID 175620013) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(6-butan-2-yl-3-pyridinyl)indazole.

Molecular Properties

Compound Name1-(6-butan-2-yl-3-pyridinyl)indazole
PubChem CID175620013
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-(6-butan-2-yl-3-pyridinyl)indazole
SMILESCCC(C)c1ccc(-n2ncc3ccccc32)cn1
InChIInChI=1S/C16H17N3/c1-3-12(2)15-9-8-14(11-17-15)19-16-7-5-4-6-13(16)10-18-19/h4-12H,3H2,1-2H3
InChIKeyQJRLVXPBXUIDKZ-UHFFFAOYSA-N
XLogP3.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-butan-2-yl-3-pyridinyl)indazole?
The IUPAC name of 1-(6-butan-2-yl-3-pyridinyl)indazole (CID 175620013) is 1-(6-butan-2-yl-3-pyridinyl)indazole.
What is the SMILES notation for 1-(6-butan-2-yl-3-pyridinyl)indazole?
The canonical SMILES for 1-(6-butan-2-yl-3-pyridinyl)indazole is CCC(C)c1ccc(-n2ncc3ccccc32)cn1.
What is the InChIKey of 1-(6-butan-2-yl-3-pyridinyl)indazole?
The InChIKey is QJRLVXPBXUIDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-3-12(2)15-9-8-14(11-17-15)19-16-7-5-4-6-13(16)10-18-19/h4-12H,3H2,1-2H3.
What are the key properties of 1-(6-butan-2-yl-3-pyridinyl)indazole?
1-(6-butan-2-yl-3-pyridinyl)indazole has a molecular weight of 251.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-butan-2-yl-3-pyridinyl)indazole is sourced from PubChem (CID 175620013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).