1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole

C11H12F3IN4 — CID 164718886

IUPAC1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole
SMILESCCn1cc(Cc2cn(C)nc2I)c(C(F)(F)F)n1
InChIInChI=1S/C11H12F3IN4/c1-3-19-6-7(9(16-19)11(12,13)14)4-8-5-18(2)17-10(8)15/h5-6H,3-4H2,1-2H3
InChIKeyIZNJSQLROBWRIX-UHFFFAOYSA-N
MW384.14 g/mol
LogP2.85
Rot. Bonds3

About 1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole

1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole (PubChem CID 164718886) has the molecular formula C11H12F3IN4 and a molecular weight of 384.14 g/mol. Its IUPAC name is 1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole
PubChem CID164718886
Molecular FormulaC11H12F3IN4
Molecular Weight384.14 g/mol
Exact Mass384.01
IUPAC Name1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole
SMILESCCn1cc(Cc2cn(C)nc2I)c(C(F)(F)F)n1
InChIInChI=1S/C11H12F3IN4/c1-3-19-6-7(9(16-19)11(12,13)14)4-8-5-18(2)17-10(8)15/h5-6H,3-4H2,1-2H3
InChIKeyIZNJSQLROBWRIX-UHFFFAOYSA-N
XLogP2.85
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.14
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-4-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-prop-2-enylpyrazole
CID 2055171
5-Methyl-4-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-prop-2-enylpyrazole
CID 742062
1-Tert-butyl-3-ethyl-4-(trifluoromethyl)pyrazole
CID 14175133
1-ethyl-4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole
CID 800416
1-Ethyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methylpyrazole
CID 4196717
1-(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine
CID 56880767
3-(2,2-Difluoro-2-iodoethyl)-1,4-dimethylpyrazole
CID 20706403
4-Butyl-1-methyl-5-(trifluoromethyl)pyrazole
CID 23383473
1-Methyl-4-(3-methylpentan-3-yl)-3-(trifluoromethyl)pyrazole
CID 57647560
3-(Difluoromethyl)-1-methyl-4-(3-methylpentan-3-yl)pyrazole
CID 57647569
4,4,5,5,6,6-Hexafluoro-2-propan-2-ylcyclopenta[c]pyrazole
CID 59050205
4-Cyclopropyl-3-methyl-1-(trifluoromethyl)pyrazole
CID 68346151

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole (CID 164718886) is 1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole is CCn1cc(Cc2cn(C)nc2I)c(C(F)(F)F)n1.
What is the InChIKey of 1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is IZNJSQLROBWRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3IN4/c1-3-19-6-7(9(16-19)11(12,13)14)4-8-5-18(2)17-10(8)15/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole?
1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 384.14 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 164718886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).