3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-methyl-4,5,6,7-tetrahydroindazole

C15H17F2N3O — CID 90167559

IUPAC3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-methyl-4,5,6,7-tetrahydroindazole
SMILESCn1nc2c(c1C(F)(F)OCc1ccccn1)CCCC2
InChIInChI=1S/C15H17F2N3O/c1-20-14(12-7-2-3-8-13(12)19-20)15(16,17)21-10-11-6-4-5-9-18-11/h4-6,9H,2-3,7-8,10H2,1H3
InChIKeyNAZPHTBVUOLWCD-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.96
Rot. Bonds4

About 3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-methyl-4,5,6,7-tetrahydroindazole

3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-methyl-4,5,6,7-tetrahydroindazole (PubChem CID 90167559) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-methyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-methyl-4,5,6,7-tetrahydroindazole
PubChem CID90167559
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-methyl-4,5,6,7-tetrahydroindazole
SMILESCn1nc2c(c1C(F)(F)OCc1ccccn1)CCCC2
InChIInChI=1S/C15H17F2N3O/c1-20-14(12-7-2-3-8-13(12)19-20)15(16,17)21-10-11-6-4-5-9-18-11/h4-6,9H,2-3,7-8,10H2,1H3
InChIKeyNAZPHTBVUOLWCD-UHFFFAOYSA-N
XLogP2.96
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-methyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-methyl-4,5,6,7-tetrahydroindazole (CID 90167559) is 3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-methyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-methyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-methyl-4,5,6,7-tetrahydroindazole is Cn1nc2c(c1C(F)(F)OCc1ccccn1)CCCC2.
What is the InChIKey of 3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-methyl-4,5,6,7-tetrahydroindazole?
The InChIKey is NAZPHTBVUOLWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-20-14(12-7-2-3-8-13(12)19-20)15(16,17)21-10-11-6-4-5-9-18-11/h4-6,9H,2-3,7-8,10H2,1H3.
What are the key properties of 3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-methyl-4,5,6,7-tetrahydroindazole?
3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-methyl-4,5,6,7-tetrahydroindazole has a molecular weight of 293.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-methyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 90167559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).