3-ethoxy-2-propan-2-ylindazole

C12H16N2O — CID 118717004

IUPAC3-ethoxy-2-propan-2-ylindazole
SMILESCCOc1c2ccccc2nn1C(C)C
InChIInChI=1S/C12H16N2O/c1-4-15-12-10-7-5-6-8-11(10)13-14(12)9(2)3/h5-9H,4H2,1-3H3
InChIKeyYOPABPHLJBFZSA-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.02
Rot. Bonds3

About 3-ethoxy-2-propan-2-ylindazole

3-ethoxy-2-propan-2-ylindazole (PubChem CID 118717004) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-ethoxy-2-propan-2-ylindazole.

Molecular Properties

Compound Name3-ethoxy-2-propan-2-ylindazole
PubChem CID118717004
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-ethoxy-2-propan-2-ylindazole
SMILESCCOc1c2ccccc2nn1C(C)C
InChIInChI=1S/C12H16N2O/c1-4-15-12-10-7-5-6-8-11(10)13-14(12)9(2)3/h5-9H,4H2,1-3H3
InChIKeyYOPABPHLJBFZSA-UHFFFAOYSA-N
XLogP3.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N,N-dimethyl-3-(1-phenylindazol-3-yl)oxypropan-1-amine
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1-Benzyl-3-benzyloxy-5-nitro-indazole
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3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
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3-(1,5-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 10314006
1-(2,6-Difluorophenyl)-3-piperidin-4-yloxyindazole
CID 11674313
3,4-dihydro-2H-[1,3]oxazino[3,2-b]indazole
CID 13664293
Allyl-[6-(1,3-dimethyl-1H-indazol-6-yloxy)-hexyl]-methyl-amine
CID 44306372
1-(4-Methoxybenzyl)-3-((4-methoxybenzyl)oxy)-1H-indazole
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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-propan-2-ylindazole?
The IUPAC name of 3-ethoxy-2-propan-2-ylindazole (CID 118717004) is 3-ethoxy-2-propan-2-ylindazole.
What is the SMILES notation for 3-ethoxy-2-propan-2-ylindazole?
The canonical SMILES for 3-ethoxy-2-propan-2-ylindazole is CCOc1c2ccccc2nn1C(C)C.
What is the InChIKey of 3-ethoxy-2-propan-2-ylindazole?
The InChIKey is YOPABPHLJBFZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-4-15-12-10-7-5-6-8-11(10)13-14(12)9(2)3/h5-9H,4H2,1-3H3.
What are the key properties of 3-ethoxy-2-propan-2-ylindazole?
3-ethoxy-2-propan-2-ylindazole has a molecular weight of 204.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-propan-2-ylindazole is sourced from PubChem (CID 118717004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).