7-methoxy-4-propan-2-yl-2-(trideuteriomethyl)indazole

C12H16N2O — CID 171760307

IUPAC7-methoxy-4-propan-2-yl-2-(trideuteriomethyl)indazole
SMILES[2H]C([2H])([2H])n1cc2c(C(C)C)ccc(OC)c2n1
InChIInChI=1S/C12H16N2O/c1-8(2)9-5-6-11(15-4)12-10(9)7-14(3)13-12/h5-8H,1-4H3/i3D3
InChIKeyNJMLUZAPXRRXAG-HPRDVNIFSA-N
MW207.29 g/mol
LogP2.71
Rot. Bonds3

About 7-methoxy-4-propan-2-yl-2-(trideuteriomethyl)indazole

7-methoxy-4-propan-2-yl-2-(trideuteriomethyl)indazole (PubChem CID 171760307) has the molecular formula C12H16N2O and a molecular weight of 207.29 g/mol. Its IUPAC name is 7-methoxy-4-propan-2-yl-2-(trideuteriomethyl)indazole.

Molecular Properties

Compound Name7-methoxy-4-propan-2-yl-2-(trideuteriomethyl)indazole
PubChem CID171760307
Molecular FormulaC12H16N2O
Molecular Weight207.29 g/mol
Exact Mass207.15
IUPAC Name7-methoxy-4-propan-2-yl-2-(trideuteriomethyl)indazole
SMILES[2H]C([2H])([2H])n1cc2c(C(C)C)ccc(OC)c2n1
InChIInChI=1S/C12H16N2O/c1-8(2)9-5-6-11(15-4)12-10(9)7-14(3)13-12/h5-8H,1-4H3/i3D3
InChIKeyNJMLUZAPXRRXAG-HPRDVNIFSA-N
XLogP2.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-7-methoxy-2-(trideuteriomethyl)indazole
CID 171760643
7-methoxy-4-propan-2-yl-1-(trideuteriomethyl)indazole
CID 171760611
1-[(2-methyl-4-propan-2-ylindazol-7-yl)oxymethyl]cyclopropane-1-carbonitrile
CID 171760353
4-methoxy-2-methylindazole-7-carbaldehyde
CID 117110206
4-methoxy-1-methyl-3-propan-2-ylpyrazole
CID 163957841
2,7-dimethyl-6-propan-2-ylindazole
CID 168725075
(1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
CID 103134348
CID 23246120
CID 23246120
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 170591096
N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43635857
ethane;6-methoxy-2-methylindazol-7-ol
CID 155591258
4,7-dimethoxy-1,10-di(propan-2-yl)benzo[c][1,2,5,6]benzotetrathiocine
CID 102239647

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-propan-2-yl-2-(trideuteriomethyl)indazole?
The IUPAC name of 7-methoxy-4-propan-2-yl-2-(trideuteriomethyl)indazole (CID 171760307) is 7-methoxy-4-propan-2-yl-2-(trideuteriomethyl)indazole.
What is the SMILES notation for 7-methoxy-4-propan-2-yl-2-(trideuteriomethyl)indazole?
The canonical SMILES for 7-methoxy-4-propan-2-yl-2-(trideuteriomethyl)indazole is [2H]C([2H])([2H])n1cc2c(C(C)C)ccc(OC)c2n1.
What is the InChIKey of 7-methoxy-4-propan-2-yl-2-(trideuteriomethyl)indazole?
The InChIKey is NJMLUZAPXRRXAG-HPRDVNIFSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)9-5-6-11(15-4)12-10(9)7-14(3)13-12/h5-8H,1-4H3/i3D3.
What are the key properties of 7-methoxy-4-propan-2-yl-2-(trideuteriomethyl)indazole?
7-methoxy-4-propan-2-yl-2-(trideuteriomethyl)indazole has a molecular weight of 207.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-propan-2-yl-2-(trideuteriomethyl)indazole is sourced from PubChem (CID 171760307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).