[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol

C11H12F3IN4O — CID 164719440

IUPAC[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cn(C)nc2I)c(C(F)(F)F)n1
InChIInChI=1S/C11H12F3IN4O/c1-3-19-5-6(9(16-19)11(12,13)14)8(20)7-4-18(2)17-10(7)15/h4-5,8,20H,3H2,1-2H3
InChIKeyKOJARRWTPZDIDE-UHFFFAOYSA-N
MW400.14 g/mol
LogP2.34
Rot. Bonds3

About [1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol

[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol (PubChem CID 164719440) has the molecular formula C11H12F3IN4O and a molecular weight of 400.14 g/mol. Its IUPAC name is [1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
PubChem CID164719440
Molecular FormulaC11H12F3IN4O
Molecular Weight400.14 g/mol
Exact Mass400.00
IUPAC Name[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2cn(C)nc2I)c(C(F)(F)F)n1
InChIInChI=1S/C11H12F3IN4O/c1-3-19-5-6(9(16-19)11(12,13)14)8(20)7-4-18(2)17-10(7)15/h4-5,8,20H,3H2,1-2H3
InChIKeyKOJARRWTPZDIDE-UHFFFAOYSA-N
XLogP2.34
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.14
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 146048589
(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol
CID 51698679
[4-(Bromomethyl)-1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 87637809
1-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)ethan-1-ol
CID 148767484
(5,5-Difluoro-5,6-dihydro-4H-pyrrolo[1,2-B]pyrazol-3-YL)methanol
CID 162349399
1-Ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole
CID 164718886
(3-Bromo-1-methylpyrazol-4-yl)-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]methanol
CID 164718899
(3-Iodo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol
CID 164718932
[4-Bromo-1-(difluoromethyl)pyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanol
CID 164719439
1-Ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole;[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
CID 165035595
[1-(2,2-Difluoroethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol
CID 166559780
[3-Chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol
CID 166560187

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol?
The IUPAC name of [1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol (CID 164719440) is [1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for [1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol?
The canonical SMILES for [1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol is CCn1cc(C(O)c2cn(C)nc2I)c(C(F)(F)F)n1.
What is the InChIKey of [1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol?
The InChIKey is KOJARRWTPZDIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3IN4O/c1-3-19-5-6(9(16-19)11(12,13)14)8(20)7-4-18(2)17-10(7)15/h4-5,8,20H,3H2,1-2H3.
What are the key properties of [1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol?
[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol has a molecular weight of 400.14 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 164719440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).