1-methyl-N-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-(trifluoromethyl)imidazol-2-amine

C15H20F3N5O — CID 167868018

IUPAC1-methyl-N-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-(trifluoromethyl)imidazol-2-amine
SMILESCc1nn(C2CCOCC2)cc1CNc1nc(C(F)(F)F)cn1C
InChIInChI=1S/C15H20F3N5O/c1-10-11(8-23(21-10)12-3-5-24-6-4-12)7-19-14-20-13(9-22(14)2)15(16,17)18/h8-9,12H,3-7H2,1-2H3,(H,19,20)
InChIKeyIWVCAOFJOGUHMC-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.91
Rot. Bonds4

About 1-methyl-N-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-(trifluoromethyl)imidazol-2-amine

1-methyl-N-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-(trifluoromethyl)imidazol-2-amine (PubChem CID 167868018) has the molecular formula C15H20F3N5O and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-methyl-N-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-(trifluoromethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-(trifluoromethyl)imidazol-2-amine
PubChem CID167868018
Molecular FormulaC15H20F3N5O
Molecular Weight343.35 g/mol
Exact Mass343.16
IUPAC Name1-methyl-N-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-(trifluoromethyl)imidazol-2-amine
SMILESCc1nn(C2CCOCC2)cc1CNc1nc(C(F)(F)F)cn1C
InChIInChI=1S/C15H20F3N5O/c1-10-11(8-23(21-10)12-3-5-24-6-4-12)7-19-14-20-13(9-22(14)2)15(16,17)18/h8-9,12H,3-7H2,1-2H3,(H,19,20)
InChIKeyIWVCAOFJOGUHMC-UHFFFAOYSA-N
XLogP2.91
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-(trifluoromethyl)imidazol-2-amine?
The IUPAC name of 1-methyl-N-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-(trifluoromethyl)imidazol-2-amine (CID 167868018) is 1-methyl-N-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-(trifluoromethyl)imidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-(trifluoromethyl)imidazol-2-amine?
The canonical SMILES for 1-methyl-N-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-(trifluoromethyl)imidazol-2-amine is Cc1nn(C2CCOCC2)cc1CNc1nc(C(F)(F)F)cn1C.
What is the InChIKey of 1-methyl-N-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-(trifluoromethyl)imidazol-2-amine?
The InChIKey is IWVCAOFJOGUHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O/c1-10-11(8-23(21-10)12-3-5-24-6-4-12)7-19-14-20-13(9-22(14)2)15(16,17)18/h8-9,12H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 1-methyl-N-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-(trifluoromethyl)imidazol-2-amine?
1-methyl-N-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-(trifluoromethyl)imidazol-2-amine has a molecular weight of 343.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]-4-(trifluoromethyl)imidazol-2-amine is sourced from PubChem (CID 167868018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).