2,7-dimethyl-4-pyrrolidin-1-ylindazole

C13H17N3 — CID 167502193

IUPAC2,7-dimethyl-4-pyrrolidin-1-ylindazole
SMILESCc1ccc(N2CCCC2)c2cn(C)nc12
InChIInChI=1S/C13H17N3/c1-10-5-6-12(16-7-3-4-8-16)11-9-15(2)14-13(10)11/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyXXOJJYHVWHRXGQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.48
Rot. Bonds1

About 2,7-dimethyl-4-pyrrolidin-1-ylindazole

2,7-dimethyl-4-pyrrolidin-1-ylindazole (PubChem CID 167502193) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2,7-dimethyl-4-pyrrolidin-1-ylindazole.

Molecular Properties

Compound Name2,7-dimethyl-4-pyrrolidin-1-ylindazole
PubChem CID167502193
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2,7-dimethyl-4-pyrrolidin-1-ylindazole
SMILESCc1ccc(N2CCCC2)c2cn(C)nc12
InChIInChI=1S/C13H17N3/c1-10-5-6-12(16-7-3-4-8-16)11-9-15(2)14-13(10)11/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyXXOJJYHVWHRXGQ-UHFFFAOYSA-N
XLogP2.48
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4-pyrrolidin-1-ylindazole?
The IUPAC name of 2,7-dimethyl-4-pyrrolidin-1-ylindazole (CID 167502193) is 2,7-dimethyl-4-pyrrolidin-1-ylindazole.
What is the SMILES notation for 2,7-dimethyl-4-pyrrolidin-1-ylindazole?
The canonical SMILES for 2,7-dimethyl-4-pyrrolidin-1-ylindazole is Cc1ccc(N2CCCC2)c2cn(C)nc12.
What is the InChIKey of 2,7-dimethyl-4-pyrrolidin-1-ylindazole?
The InChIKey is XXOJJYHVWHRXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-5-6-12(16-7-3-4-8-16)11-9-15(2)14-13(10)11/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2,7-dimethyl-4-pyrrolidin-1-ylindazole?
2,7-dimethyl-4-pyrrolidin-1-ylindazole has a molecular weight of 215.30 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4-pyrrolidin-1-ylindazole is sourced from PubChem (CID 167502193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).