5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-amine

C10H11F3N4O — CID 118171676

IUPAC5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-amine
SMILESCc1cc(Cn2nc(C(F)(F)F)c(N)c2C)no1
InChIInChI=1S/C10H11F3N4O/c1-5-3-7(16-18-5)4-17-6(2)8(14)9(15-17)10(11,12)13/h3H,4,14H2,1-2H3
InChIKeyLRDIAWJFWGMXCA-UHFFFAOYSA-N
MW260.22 g/mol
LogP2.14
Rot. Bonds2

About 5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-amine

5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-amine (PubChem CID 118171676) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-amine
PubChem CID118171676
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-amine
SMILESCc1cc(Cn2nc(C(F)(F)F)c(N)c2C)no1
InChIInChI=1S/C10H11F3N4O/c1-5-3-7(16-18-5)4-17-6(2)8(14)9(15-17)10(11,12)13/h3H,4,14H2,1-2H3
InChIKeyLRDIAWJFWGMXCA-UHFFFAOYSA-N
XLogP2.14
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-amine 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 5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-amine (CID 118171676) is 5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-amine is Cc1cc(Cn2nc(C(F)(F)F)c(N)c2C)no1.
What is the InChIKey of 5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is LRDIAWJFWGMXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c1-5-3-7(16-18-5)4-17-6(2)8(14)9(15-17)10(11,12)13/h3H,4,14H2,1-2H3.
What are the key properties of 5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-amine?
5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 260.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 118171676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).