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

C10H10BrF3N4O — CID 169193015

IUPAC(3-bromo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol
SMILESCn1cc(C(O)c2cnn(CC(F)(F)F)c2)c(Br)n1
InChIInChI=1S/C10H10BrF3N4O/c1-17-4-7(9(11)16-17)8(19)6-2-15-18(3-6)5-10(12,13)14/h2-4,8,19H,5H2,1H3
InChIKeyAWKZQUSLKCTDOB-UHFFFAOYSA-N
MW339.12 g/mol
LogP2.02
Rot. Bonds3

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

(3-bromo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol (PubChem CID 169193015) has the molecular formula C10H10BrF3N4O and a molecular weight of 339.12 g/mol. Its IUPAC name is (3-bromo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name(3-bromo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol
PubChem CID169193015
Molecular FormulaC10H10BrF3N4O
Molecular Weight339.12 g/mol
Exact Mass338.00
IUPAC Name(3-bromo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol
SMILESCn1cc(C(O)c2cnn(CC(F)(F)F)c2)c(Br)n1
InChIInChI=1S/C10H10BrF3N4O/c1-17-4-7(9(11)16-17)8(19)6-2-15-18(3-6)5-10(12,13)14/h2-4,8,19H,5H2,1H3
InChIKeyAWKZQUSLKCTDOB-UHFFFAOYSA-N
XLogP2.02
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.12
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol?
The IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol (CID 169193015) is (3-bromo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for (3-bromo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol?
The canonical SMILES for (3-bromo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol is Cn1cc(C(O)c2cnn(CC(F)(F)F)c2)c(Br)n1.
What is the InChIKey of (3-bromo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol?
The InChIKey is AWKZQUSLKCTDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N4O/c1-17-4-7(9(11)16-17)8(19)6-2-15-18(3-6)5-10(12,13)14/h2-4,8,19H,5H2,1H3.
What are the key properties of (3-bromo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol?
(3-bromo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol has a molecular weight of 339.12 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 169193015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).