[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone

C19H23F2N3O2 — CID 95239411

IUPAC[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)N1C[C@@H](C)OC(C)(C)C1
InChIInChI=1S/C19H23F2N3O2/c1-11-9-23(10-19(4,5)26-11)18(25)17-12(2)22-24(13(17)3)16-7-6-14(20)8-15(16)21/h6-8,11H,9-10H2,1-5H3/t11-/m1/s1
InChIKeyRWCYGRBDKCNJDC-LLVKDONJSA-N
MW363.41 g/mol
LogP3.41
Rot. Bonds2

About [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone

[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone (PubChem CID 95239411) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
PubChem CID95239411
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)N1C[C@@H](C)OC(C)(C)C1
InChIInChI=1S/C19H23F2N3O2/c1-11-9-23(10-19(4,5)26-11)18(25)17-12(2)22-24(13(17)3)16-7-6-14(20)8-15(16)21/h6-8,11H,9-10H2,1-5H3/t11-/m1/s1
InChIKeyRWCYGRBDKCNJDC-LLVKDONJSA-N
XLogP3.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone?
The IUPAC name of [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone (CID 95239411) is [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone?
The canonical SMILES for [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone is Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)N1C[C@@H](C)OC(C)(C)C1.
What is the InChIKey of [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone?
The InChIKey is RWCYGRBDKCNJDC-LLVKDONJSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-11-9-23(10-19(4,5)26-11)18(25)17-12(2)22-24(13(17)3)16-7-6-14(20)8-15(16)21/h6-8,11H,9-10H2,1-5H3/t11-/m1/s1.
What are the key properties of [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone?
[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone has a molecular weight of 363.41 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 95239411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).