4-(3-methoxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole

C10H15F3N2O — CID 168907771

IUPAC4-(3-methoxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCOCC(C)Cc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C10H15F3N2O/c1-8(6-16-2)3-9-4-14-15(5-9)7-10(11,12)13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyGTFHJZYAKGLEQI-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.27
Rot. Bonds5

About 4-(3-methoxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole

4-(3-methoxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 168907771) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 4-(3-methoxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name4-(3-methoxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID168907771
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name4-(3-methoxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCOCC(C)Cc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C10H15F3N2O/c1-8(6-16-2)3-9-4-14-15(5-9)7-10(11,12)13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyGTFHJZYAKGLEQI-UHFFFAOYSA-N
XLogP2.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 4-(3-methoxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole (CID 168907771) is 4-(3-methoxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 4-(3-methoxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 4-(3-methoxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole is COCC(C)Cc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 4-(3-methoxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is GTFHJZYAKGLEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-8(6-16-2)3-9-4-14-15(5-9)7-10(11,12)13/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 4-(3-methoxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole?
4-(3-methoxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 236.24 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 168907771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).