(3-iodo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol

C10H10F3IN4O — CID 164718932

IUPAC(3-iodo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol
SMILESCn1cc(C(O)c2cnn(CC(F)(F)F)c2)c(I)n1
InChIInChI=1S/C10H10F3IN4O/c1-17-4-7(9(14)16-17)8(19)6-2-15-18(3-6)5-10(11,12)13/h2-4,8,19H,5H2,1H3
InChIKeyWMISASNFKUEITK-UHFFFAOYSA-N
MW386.12 g/mol
LogP1.87
Rot. Bonds3

About (3-iodo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol

(3-iodo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol (PubChem CID 164718932) has the molecular formula C10H10F3IN4O and a molecular weight of 386.12 g/mol. Its IUPAC name is (3-iodo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name(3-iodo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol
PubChem CID164718932
Molecular FormulaC10H10F3IN4O
Molecular Weight386.12 g/mol
Exact Mass385.99
IUPAC Name(3-iodo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol
SMILESCn1cc(C(O)c2cnn(CC(F)(F)F)c2)c(I)n1
InChIInChI=1S/C10H10F3IN4O/c1-17-4-7(9(14)16-17)8(19)6-2-15-18(3-6)5-10(11,12)13/h2-4,8,19H,5H2,1H3
InChIKeyWMISASNFKUEITK-UHFFFAOYSA-N
XLogP1.87
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.12
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-iodo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol?
The IUPAC name of (3-iodo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol (CID 164718932) is (3-iodo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for (3-iodo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol?
The canonical SMILES for (3-iodo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol is Cn1cc(C(O)c2cnn(CC(F)(F)F)c2)c(I)n1.
What is the InChIKey of (3-iodo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol?
The InChIKey is WMISASNFKUEITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3IN4O/c1-17-4-7(9(14)16-17)8(19)6-2-15-18(3-6)5-10(11,12)13/h2-4,8,19H,5H2,1H3.
What are the key properties of (3-iodo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol?
(3-iodo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol has a molecular weight of 386.12 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 164718932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).