3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2,2,2-trifluoroethyl)morpholine

C11H16F3N3O — CID 167944619

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2,2,2-trifluoroethyl)morpholine
SMILESCc1n[nH]c(C)c1C1COCCN1CC(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-7-10(8(2)16-15-7)9-5-18-4-3-17(9)6-11(12,13)14/h9H,3-6H2,1-2H3,(H,15,16)
InChIKeyWQBQNODTPYKHPD-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.96
Rot. Bonds2

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2,2,2-trifluoroethyl)morpholine

3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2,2,2-trifluoroethyl)morpholine (PubChem CID 167944619) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2,2,2-trifluoroethyl)morpholine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2,2,2-trifluoroethyl)morpholine
PubChem CID167944619
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2,2,2-trifluoroethyl)morpholine
SMILESCc1n[nH]c(C)c1C1COCCN1CC(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-7-10(8(2)16-15-7)9-5-18-4-3-17(9)6-11(12,13)14/h9H,3-6H2,1-2H3,(H,15,16)
InChIKeyWQBQNODTPYKHPD-UHFFFAOYSA-N
XLogP1.96
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2,2,2-trifluoroethyl)morpholine?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2,2,2-trifluoroethyl)morpholine (CID 167944619) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2,2,2-trifluoroethyl)morpholine.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2,2,2-trifluoroethyl)morpholine?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2,2,2-trifluoroethyl)morpholine is Cc1n[nH]c(C)c1C1COCCN1CC(F)(F)F.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2,2,2-trifluoroethyl)morpholine?
The InChIKey is WQBQNODTPYKHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-7-10(8(2)16-15-7)9-5-18-4-3-17(9)6-11(12,13)14/h9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2,2,2-trifluoroethyl)morpholine?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2,2,2-trifluoroethyl)morpholine has a molecular weight of 263.26 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2,2,2-trifluoroethyl)morpholine is sourced from PubChem (CID 167944619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).