4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethyl]morpholine

C14H20ClF3N4O2 — CID 1488900

IUPAC4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethyl]morpholine
SMILESCn1nc(C(F)(F)F)c(C(N2CCOCC2)N2CCOCC2)c1Cl
InChIInChI=1S/C14H20ClF3N4O2/c1-20-12(15)10(11(19-20)14(16,17)18)13(21-2-6-23-7-3-21)22-4-8-24-9-5-22/h13H,2-9H2,1H3
InChIKeyXQILXUWULXMUIA-UHFFFAOYSA-N
MW368.79 g/mol
LogP1.76
Rot. Bonds3

About 4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethyl]morpholine

4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethyl]morpholine (PubChem CID 1488900) has the molecular formula C14H20ClF3N4O2 and a molecular weight of 368.79 g/mol. Its IUPAC name is 4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethyl]morpholine.

Molecular Properties

Compound Name4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethyl]morpholine
PubChem CID1488900
Molecular FormulaC14H20ClF3N4O2
Molecular Weight368.79 g/mol
Exact Mass368.12
IUPAC Name4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethyl]morpholine
SMILESCn1nc(C(F)(F)F)c(C(N2CCOCC2)N2CCOCC2)c1Cl
InChIInChI=1S/C14H20ClF3N4O2/c1-20-12(15)10(11(19-20)14(16,17)18)13(21-2-6-23-7-3-21)22-4-8-24-9-5-22/h13H,2-9H2,1H3
InChIKeyXQILXUWULXMUIA-UHFFFAOYSA-N
XLogP1.76
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.79
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethyl]morpholine?
The IUPAC name of 4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethyl]morpholine (CID 1488900) is 4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethyl]morpholine.
What is the SMILES notation for 4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethyl]morpholine?
The canonical SMILES for 4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethyl]morpholine is Cn1nc(C(F)(F)F)c(C(N2CCOCC2)N2CCOCC2)c1Cl.
What is the InChIKey of 4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethyl]morpholine?
The InChIKey is XQILXUWULXMUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF3N4O2/c1-20-12(15)10(11(19-20)14(16,17)18)13(21-2-6-23-7-3-21)22-4-8-24-9-5-22/h13H,2-9H2,1H3.
What are the key properties of 4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethyl]morpholine?
4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethyl]morpholine has a molecular weight of 368.79 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethyl]morpholine is sourced from PubChem (CID 1488900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).