4-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine

C19H25F2N3O2 — CID 86895528

IUPAC4-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
SMILESCc1cc(C)n(CC2CN(C(C)c3ccc(OC(F)F)cc3)CCO2)n1
InChIInChI=1S/C19H25F2N3O2/c1-13-10-14(2)24(22-13)12-18-11-23(8-9-25-18)15(3)16-4-6-17(7-5-16)26-19(20)21/h4-7,10,15,18-19H,8-9,11-12H2,1-3H3
InChIKeyYYPMFFMLZBMQTF-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.56
Rot. Bonds6

About 4-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine

4-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine (PubChem CID 86895528) has the molecular formula C19H25F2N3O2 and a molecular weight of 365.42 g/mol. Its IUPAC name is 4-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
PubChem CID86895528
Molecular FormulaC19H25F2N3O2
Molecular Weight365.42 g/mol
Exact Mass365.19
IUPAC Name4-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
SMILESCc1cc(C)n(CC2CN(C(C)c3ccc(OC(F)F)cc3)CCO2)n1
InChIInChI=1S/C19H25F2N3O2/c1-13-10-14(2)24(22-13)12-18-11-23(8-9-25-18)15(3)16-4-6-17(7-5-16)26-19(20)21/h4-7,10,15,18-19H,8-9,11-12H2,1-3H3
InChIKeyYYPMFFMLZBMQTF-UHFFFAOYSA-N
XLogP3.56
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine?
The IUPAC name of 4-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine (CID 86895528) is 4-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine?
The canonical SMILES for 4-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine is Cc1cc(C)n(CC2CN(C(C)c3ccc(OC(F)F)cc3)CCO2)n1.
What is the InChIKey of 4-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine?
The InChIKey is YYPMFFMLZBMQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O2/c1-13-10-14(2)24(22-13)12-18-11-23(8-9-25-18)15(3)16-4-6-17(7-5-16)26-19(20)21/h4-7,10,15,18-19H,8-9,11-12H2,1-3H3.
What are the key properties of 4-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine?
4-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine has a molecular weight of 365.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine is sourced from PubChem (CID 86895528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).