2-[4-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]phenyl]morpholine

C16H19F2N3O — CID 160698424

IUPAC2-[4-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]phenyl]morpholine
SMILESFC(F)Cn1ccc(Cc2ccc(C3CNCCO3)cc2)n1
InChIInChI=1S/C16H19F2N3O/c17-16(18)11-21-7-5-14(20-21)9-12-1-3-13(4-2-12)15-10-19-6-8-22-15/h1-5,7,15-16,19H,6,8-11H2
InChIKeyRQHIGRUCBCIIKP-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.40
Rot. Bonds5

About 2-[4-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]phenyl]morpholine

2-[4-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]phenyl]morpholine (PubChem CID 160698424) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-[4-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]phenyl]morpholine.

Molecular Properties

Compound Name2-[4-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]phenyl]morpholine
PubChem CID160698424
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name2-[4-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]phenyl]morpholine
SMILESFC(F)Cn1ccc(Cc2ccc(C3CNCCO3)cc2)n1
InChIInChI=1S/C16H19F2N3O/c17-16(18)11-21-7-5-14(20-21)9-12-1-3-13(4-2-12)15-10-19-6-8-22-15/h1-5,7,15-16,19H,6,8-11H2
InChIKeyRQHIGRUCBCIIKP-UHFFFAOYSA-N
XLogP2.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]phenyl]morpholine?
The IUPAC name of 2-[4-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]phenyl]morpholine (CID 160698424) is 2-[4-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]phenyl]morpholine.
What is the SMILES notation for 2-[4-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]phenyl]morpholine?
The canonical SMILES for 2-[4-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]phenyl]morpholine is FC(F)Cn1ccc(Cc2ccc(C3CNCCO3)cc2)n1.
What is the InChIKey of 2-[4-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]phenyl]morpholine?
The InChIKey is RQHIGRUCBCIIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O/c17-16(18)11-21-7-5-14(20-21)9-12-1-3-13(4-2-12)15-10-19-6-8-22-15/h1-5,7,15-16,19H,6,8-11H2.
What are the key properties of 2-[4-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]phenyl]morpholine?
2-[4-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]phenyl]morpholine has a molecular weight of 307.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]phenyl]morpholine is sourced from PubChem (CID 160698424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).