7-methoxy-4-propan-2-yl-1-(trideuteriomethyl)indazole

C12H16N2O — CID 171760611

IUPAC7-methoxy-4-propan-2-yl-1-(trideuteriomethyl)indazole
SMILES[2H]C([2H])([2H])n1ncc2c(C(C)C)ccc(OC)c21
InChIInChI=1S/C12H16N2O/c1-8(2)9-5-6-11(15-4)12-10(9)7-13-14(12)3/h5-8H,1-4H3/i3D3
InChIKeyCQGDHGJZYHGCHB-HPRDVNIFSA-N
MW207.29 g/mol
LogP2.71
Rot. Bonds3

About 7-methoxy-4-propan-2-yl-1-(trideuteriomethyl)indazole

7-methoxy-4-propan-2-yl-1-(trideuteriomethyl)indazole (PubChem CID 171760611) has the molecular formula C12H16N2O and a molecular weight of 207.29 g/mol. Its IUPAC name is 7-methoxy-4-propan-2-yl-1-(trideuteriomethyl)indazole.

Molecular Properties

Compound Name7-methoxy-4-propan-2-yl-1-(trideuteriomethyl)indazole
PubChem CID171760611
Molecular FormulaC12H16N2O
Molecular Weight207.29 g/mol
Exact Mass207.15
IUPAC Name7-methoxy-4-propan-2-yl-1-(trideuteriomethyl)indazole
SMILES[2H]C([2H])([2H])n1ncc2c(C(C)C)ccc(OC)c21
InChIInChI=1S/C12H16N2O/c1-8(2)9-5-6-11(15-4)12-10(9)7-13-14(12)3/h5-8H,1-4H3/i3D3
InChIKeyCQGDHGJZYHGCHB-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

7-methoxy-4-propan-2-yl-2-(trideuteriomethyl)indazole
CID 171760307
4-(2,3-dimethoxy-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117440661
5-methoxy-1-methyl-4-propan-2-ylpyrazole
CID 146481002
CID 23246120
CID 23246120
5-methoxy-1-methylindazole-4-carbaldehyde
CID 84662481
6-chloro-7-methoxy-1-(trideuteriomethyl)pyrazolo[4,3-c]pyridine
CID 171437376
7-bromo-6-methoxy-1-methylindazole
CID 171662295
(5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol
CID 103523206
(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine
CID 114646467
4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117402644
4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 103524627
[(3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 103524736

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-propan-2-yl-1-(trideuteriomethyl)indazole?
The IUPAC name of 7-methoxy-4-propan-2-yl-1-(trideuteriomethyl)indazole (CID 171760611) is 7-methoxy-4-propan-2-yl-1-(trideuteriomethyl)indazole.
What is the SMILES notation for 7-methoxy-4-propan-2-yl-1-(trideuteriomethyl)indazole?
The canonical SMILES for 7-methoxy-4-propan-2-yl-1-(trideuteriomethyl)indazole is [2H]C([2H])([2H])n1ncc2c(C(C)C)ccc(OC)c21.
What is the InChIKey of 7-methoxy-4-propan-2-yl-1-(trideuteriomethyl)indazole?
The InChIKey is CQGDHGJZYHGCHB-HPRDVNIFSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)9-5-6-11(15-4)12-10(9)7-13-14(12)3/h5-8H,1-4H3/i3D3.
What are the key properties of 7-methoxy-4-propan-2-yl-1-(trideuteriomethyl)indazole?
7-methoxy-4-propan-2-yl-1-(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-1-(trideuteriomethyl)indazole is sourced from PubChem (CID 171760611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).