4-iodo-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole

C11H19IN2O — CID 112592599

IUPAC4-iodo-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole
SMILESCc1nn(CCOC(C)(C)C)c(C)c1I
InChIInChI=1S/C11H19IN2O/c1-8-10(12)9(2)14(13-8)6-7-15-11(3,4)5/h6-7H2,1-5H3
InChIKeyUTDGJZUZCWTFIR-UHFFFAOYSA-N
MW322.19 g/mol
LogP2.92
Rot. Bonds3

About 4-iodo-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole

4-iodo-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole (PubChem CID 112592599) has the molecular formula C11H19IN2O and a molecular weight of 322.19 g/mol. Its IUPAC name is 4-iodo-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole.

Molecular Properties

Compound Name4-iodo-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole
PubChem CID112592599
Molecular FormulaC11H19IN2O
Molecular Weight322.19 g/mol
Exact Mass322.05
IUPAC Name4-iodo-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole
SMILESCc1nn(CCOC(C)(C)C)c(C)c1I
InChIInChI=1S/C11H19IN2O/c1-8-10(12)9(2)14(13-8)6-7-15-11(3,4)5/h6-7H2,1-5H3
InChIKeyUTDGJZUZCWTFIR-UHFFFAOYSA-N
XLogP2.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-carboxylic acid
CID 112590072
4-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpyrazole
CID 104568877
1-[3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]ethanone
CID 112591651
4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole
CID 79785419
3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide
CID 112592695
4-iodo-3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazole
CID 79785606
1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol
CID 164946156
1-ethyl-4-iodo-3,5-dimethylpyrazole
CID 51063680
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole
CID 112687525
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-iodo-5-methylpyrazol-3-yl]methanol
CID 170617962
4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole
CID 114532902
tert-butyl-[[4-iodo-1-(2-methoxyethyl)-5-methylpyrazol-3-yl]methoxy]-dimethylsilane
CID 151953755

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole?
The IUPAC name of 4-iodo-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole (CID 112592599) is 4-iodo-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole.
What is the SMILES notation for 4-iodo-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole?
The canonical SMILES for 4-iodo-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole is Cc1nn(CCOC(C)(C)C)c(C)c1I.
What is the InChIKey of 4-iodo-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole?
The InChIKey is UTDGJZUZCWTFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IN2O/c1-8-10(12)9(2)14(13-8)6-7-15-11(3,4)5/h6-7H2,1-5H3.
What are the key properties of 4-iodo-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole?
4-iodo-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole has a molecular weight of 322.19 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole is sourced from PubChem (CID 112592599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).