5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole

C16H20N2O2 — CID 165137431

IUPAC5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
SMILESCC1(Oc2ccc3c(cnn3C3CCCCO3)c2)CC1
InChIInChI=1S/C16H20N2O2/c1-16(7-8-16)20-13-5-6-14-12(10-13)11-17-18(14)15-4-2-3-9-19-15/h5-6,10-11,15H,2-4,7-9H2,1H3
InChIKeyIFKCMZFHRZGQMY-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.67
Rot. Bonds3

About 5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole

5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole (PubChem CID 165137431) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
PubChem CID165137431
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
SMILESCC1(Oc2ccc3c(cnn3C3CCCCO3)c2)CC1
InChIInChI=1S/C16H20N2O2/c1-16(7-8-16)20-13-5-6-14-12(10-13)11-17-18(14)15-4-2-3-9-19-15/h5-6,10-11,15H,2-4,7-9H2,1H3
InChIKeyIFKCMZFHRZGQMY-UHFFFAOYSA-N
XLogP3.67
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trimethyl-[5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazol-3-yl]stannane
CID 169236547
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
CID 170560839
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
1-(oxan-2-yl)indazole-5-carbonitrile
CID 58125480
1-[(2S)-oxan-2-yl]indazole
CID 124562379
5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol
CID 143864203
3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
CID 165137657
5-benzyl-1-(oxan-2-yl)indazole
CID 156734105
1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole
CID 178036760
3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal
CID 86663366
1-(oxan-2-yl)-5-pent-1-ynylindazole
CID 66793301

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole?
The IUPAC name of 5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole (CID 165137431) is 5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole.
What is the SMILES notation for 5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole?
The canonical SMILES for 5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole is CC1(Oc2ccc3c(cnn3C3CCCCO3)c2)CC1.
What is the InChIKey of 5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole?
The InChIKey is IFKCMZFHRZGQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(7-8-16)20-13-5-6-14-12(10-13)11-17-18(14)15-4-2-3-9-19-15/h5-6,10-11,15H,2-4,7-9H2,1H3.
What are the key properties of 5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole?
5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole has a molecular weight of 272.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole is sourced from PubChem (CID 165137431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).