4-[2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine

C11H16F3N3O — CID 170264464

IUPAC4-[2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine
SMILESCc1cnn(CCN2CCOCC2)c1C(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-9-8-15-17(10(9)11(12,13)14)3-2-16-4-6-18-7-5-16/h8H,2-7H2,1H3
InChIKeyPYHJZHMBWPAXMO-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.54
Rot. Bonds3

About 4-[2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine

4-[2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine (PubChem CID 170264464) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-[2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine
PubChem CID170264464
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name4-[2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine
SMILESCc1cnn(CCN2CCOCC2)c1C(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-9-8-15-17(10(9)11(12,13)14)3-2-16-4-6-18-7-5-16/h8H,2-7H2,1H3
InChIKeyPYHJZHMBWPAXMO-UHFFFAOYSA-N
XLogP1.54
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine (CID 170264464) is 4-[2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine is Cc1cnn(CCN2CCOCC2)c1C(F)(F)F.
What is the InChIKey of 4-[2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine?
The InChIKey is PYHJZHMBWPAXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-9-8-15-17(10(9)11(12,13)14)3-2-16-4-6-18-7-5-16/h8H,2-7H2,1H3.
What are the key properties of 4-[2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine has a molecular weight of 263.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 170264464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).