4-propan-2-yl-6-propan-2-yloxy-1H-indazole

C13H18N2O — CID 167286379

IUPAC4-propan-2-yl-6-propan-2-yloxy-1H-indazole
SMILESCC(C)Oc1cc(C(C)C)c2cn[nH]c2c1
InChIInChI=1S/C13H18N2O/c1-8(2)11-5-10(16-9(3)4)6-13-12(11)7-14-15-13/h5-9H,1-4H3,(H,14,15)
InChIKeyCMWLNZLOTHSSIU-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.47
Rot. Bonds3

About 4-propan-2-yl-6-propan-2-yloxy-1H-indazole

4-propan-2-yl-6-propan-2-yloxy-1H-indazole (PubChem CID 167286379) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-propan-2-yl-6-propan-2-yloxy-1H-indazole.

Molecular Properties

Compound Name4-propan-2-yl-6-propan-2-yloxy-1H-indazole
PubChem CID167286379
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-propan-2-yl-6-propan-2-yloxy-1H-indazole
SMILESCC(C)Oc1cc(C(C)C)c2cn[nH]c2c1
InChIInChI=1S/C13H18N2O/c1-8(2)11-5-10(16-9(3)4)6-13-12(11)7-14-15-13/h5-9H,1-4H3,(H,14,15)
InChIKeyCMWLNZLOTHSSIU-UHFFFAOYSA-N
XLogP3.47
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-4-propan-2-yl-1H-indazole
CID 118042554
4-butan-2-yl-6-(2-methoxyethoxy)-1H-indazole
CID 167286380
4-(4-propan-2-yl-1H-indazol-6-yl)morpholine
CID 167286378
6-methyl-4,5-di(propan-2-yl)-1H-indazole
CID 171650760
6-methoxy-1H-indazole-4-carbonitrile
CID 130063102
6-methoxy-1H-indazol-4-amine
CID 24729622
2-methylpropane;6-methyl-4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine
CID 156859530
6-methyl-5-propan-2-yl-1H-indazole
CID 58371515
1-(1H-indazol-4-yl)ethanethiol
CID 135200375
6-methoxy-4-phenyl-1H-indazole
CID 127046307
4-nitro-6-propan-2-yl-1H-indazole
CID 24729319
4,5-di(propan-2-yl)-1H-pyrazole
CID 18735016

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-6-propan-2-yloxy-1H-indazole?
The IUPAC name of 4-propan-2-yl-6-propan-2-yloxy-1H-indazole (CID 167286379) is 4-propan-2-yl-6-propan-2-yloxy-1H-indazole.
What is the SMILES notation for 4-propan-2-yl-6-propan-2-yloxy-1H-indazole?
The canonical SMILES for 4-propan-2-yl-6-propan-2-yloxy-1H-indazole is CC(C)Oc1cc(C(C)C)c2cn[nH]c2c1.
What is the InChIKey of 4-propan-2-yl-6-propan-2-yloxy-1H-indazole?
The InChIKey is CMWLNZLOTHSSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8(2)11-5-10(16-9(3)4)6-13-12(11)7-14-15-13/h5-9H,1-4H3,(H,14,15).
What are the key properties of 4-propan-2-yl-6-propan-2-yloxy-1H-indazole?
4-propan-2-yl-6-propan-2-yloxy-1H-indazole has a molecular weight of 218.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-6-propan-2-yloxy-1H-indazole is sourced from PubChem (CID 167286379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).