(2R)-N-ethyl-4-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]butan-2-amine

C15H24F3N3O — CID 148711828

IUPAC(2R)-N-ethyl-4-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]butan-2-amine
SMILESCCN[C@H](C)CCc1cn(C2CCCCO2)nc1C(F)(F)F
InChIInChI=1S/C15H24F3N3O/c1-3-19-11(2)7-8-12-10-21(13-6-4-5-9-22-13)20-14(12)15(16,17)18/h10-11,13,19H,3-9H2,1-2H3/t11-,13?/m1/s1
InChIKeyNXJKRRJTYMYTCR-JTDNENJMSA-N
MW319.37 g/mol
LogP3.53
Rot. Bonds6

About (2R)-N-ethyl-4-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]butan-2-amine

(2R)-N-ethyl-4-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]butan-2-amine (PubChem CID 148711828) has the molecular formula C15H24F3N3O and a molecular weight of 319.37 g/mol. Its IUPAC name is (2R)-N-ethyl-4-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-ethyl-4-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]butan-2-amine
PubChem CID148711828
Molecular FormulaC15H24F3N3O
Molecular Weight319.37 g/mol
Exact Mass319.19
IUPAC Name(2R)-N-ethyl-4-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]butan-2-amine
SMILESCCN[C@H](C)CCc1cn(C2CCCCO2)nc1C(F)(F)F
InChIInChI=1S/C15H24F3N3O/c1-3-19-11(2)7-8-12-10-21(13-6-4-5-9-22-13)20-14(12)15(16,17)18/h10-11,13,19H,3-9H2,1-2H3/t11-,13?/m1/s1
InChIKeyNXJKRRJTYMYTCR-JTDNENJMSA-N
XLogP3.53
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-4-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]butan-2-amine?
The IUPAC name of (2R)-N-ethyl-4-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]butan-2-amine (CID 148711828) is (2R)-N-ethyl-4-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]butan-2-amine.
What is the SMILES notation for (2R)-N-ethyl-4-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]butan-2-amine?
The canonical SMILES for (2R)-N-ethyl-4-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]butan-2-amine is CCN[C@H](C)CCc1cn(C2CCCCO2)nc1C(F)(F)F.
What is the InChIKey of (2R)-N-ethyl-4-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]butan-2-amine?
The InChIKey is NXJKRRJTYMYTCR-JTDNENJMSA-N. The full InChI is InChI=1S/C15H24F3N3O/c1-3-19-11(2)7-8-12-10-21(13-6-4-5-9-22-13)20-14(12)15(16,17)18/h10-11,13,19H,3-9H2,1-2H3/t11-,13?/m1/s1.
What are the key properties of (2R)-N-ethyl-4-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]butan-2-amine?
(2R)-N-ethyl-4-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]butan-2-amine has a molecular weight of 319.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-4-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]butan-2-amine is sourced from PubChem (CID 148711828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).