1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol

C9H15IN2O — CID 164946156

IUPAC1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol
SMILESCc1nn(CC(C)(C)O)c(C)c1I
InChIInChI=1S/C9H15IN2O/c1-6-8(10)7(2)12(11-6)5-9(3,4)13/h13H,5H2,1-4H3
InChIKeyGDUCBCYJALHAOW-UHFFFAOYSA-N
MW294.14 g/mol
LogP1.88
Rot. Bonds2

About 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol

1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol (PubChem CID 164946156) has the molecular formula C9H15IN2O and a molecular weight of 294.14 g/mol. Its IUPAC name is 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol
PubChem CID164946156
Molecular FormulaC9H15IN2O
Molecular Weight294.14 g/mol
Exact Mass294.02
IUPAC Name1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol
SMILESCc1nn(CC(C)(C)O)c(C)c1I
InChIInChI=1S/C9H15IN2O/c1-6-8(10)7(2)12(11-6)5-9(3,4)13/h13H,5H2,1-4H3
InChIKeyGDUCBCYJALHAOW-UHFFFAOYSA-N
XLogP1.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Iodo-1,3,5-trimethyl-1H-pyrazole
CID 616702
1-(3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)-2-methylpropan-2-ol
CID 67004698
3-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
CID 25247186
4-Iodo-3,5-dimethyl-1-(3,3,3-trifluoropropyl)pyrazole
CID 79784477
4-Iodo-3,5-dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole
CID 79785140
4-Iodo-3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole
CID 79785323
1-(2-Fluoroethyl)-4-iodo-3,5-dimethylpyrazole
CID 80697310
1-(3-Fluoropropyl)-4-iodo-3,5-dimethylpyrazole
CID 81110651
4-Iodo-3,5-dimethyl-1-(4,4,4-trifluorobutyl)pyrazole
CID 115519711
4-iodo-1-isobutyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 121211555
2-(4-iodo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethan-1-ol
CID 121211562
2-[3-(Difluoromethyl)-4-iodo-5-methylpyrazol-1-yl]ethanol
CID 125725564

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol (CID 164946156) is 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol is Cc1nn(CC(C)(C)O)c(C)c1I.
What is the InChIKey of 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol?
The InChIKey is GDUCBCYJALHAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IN2O/c1-6-8(10)7(2)12(11-6)5-9(3,4)13/h13H,5H2,1-4H3.
What are the key properties of 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol?
1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol has a molecular weight of 294.14 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 164946156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).