4-bromo-1-ethyl-3-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole

C10H14BrF3N2O — CID 66277214

IUPAC4-bromo-1-ethyl-3-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole
SMILESCCn1nc(C)c(Br)c1COC(C)C(F)(F)F
InChIInChI=1S/C10H14BrF3N2O/c1-4-16-8(9(11)6(2)15-16)5-17-7(3)10(12,13)14/h7H,4-5H2,1-3H3
InChIKeyYFEAYNRLZXAFIB-UHFFFAOYSA-N
MW315.13 g/mol
LogP3.44
Rot. Bonds4

About 4-bromo-1-ethyl-3-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole

4-bromo-1-ethyl-3-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole (PubChem CID 66277214) has the molecular formula C10H14BrF3N2O and a molecular weight of 315.13 g/mol. Its IUPAC name is 4-bromo-1-ethyl-3-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-ethyl-3-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole
PubChem CID66277214
Molecular FormulaC10H14BrF3N2O
Molecular Weight315.13 g/mol
Exact Mass314.02
IUPAC Name4-bromo-1-ethyl-3-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole
SMILESCCn1nc(C)c(Br)c1COC(C)C(F)(F)F
InChIInChI=1S/C10H14BrF3N2O/c1-4-16-8(9(11)6(2)15-16)5-17-7(3)10(12,13)14/h7H,4-5H2,1-3H3
InChIKeyYFEAYNRLZXAFIB-UHFFFAOYSA-N
XLogP3.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-ethyl-3-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-3-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole?
The IUPAC name of 4-bromo-1-ethyl-3-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole (CID 66277214) is 4-bromo-1-ethyl-3-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole.
What is the SMILES notation for 4-bromo-1-ethyl-3-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole?
The canonical SMILES for 4-bromo-1-ethyl-3-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole is CCn1nc(C)c(Br)c1COC(C)C(F)(F)F.
What is the InChIKey of 4-bromo-1-ethyl-3-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole?
The InChIKey is YFEAYNRLZXAFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrF3N2O/c1-4-16-8(9(11)6(2)15-16)5-17-7(3)10(12,13)14/h7H,4-5H2,1-3H3.
What are the key properties of 4-bromo-1-ethyl-3-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole?
4-bromo-1-ethyl-3-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole has a molecular weight of 315.13 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-3-methyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole is sourced from PubChem (CID 66277214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).