(2,5-difluorophenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone

C15H15F2N3O2 — CID 118739825

IUPAC(2,5-difluorophenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
SMILESCc1cn[nH]c1C1COCCN1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H15F2N3O2/c1-9-7-18-19-14(9)13-8-22-5-4-20(13)15(21)11-6-10(16)2-3-12(11)17/h2-3,6-7,13H,4-5,8H2,1H3,(H,18,19)
InChIKeyLXVVYSIVJWLSHS-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.21
Rot. Bonds2

About (2,5-difluorophenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone

(2,5-difluorophenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone (PubChem CID 118739825) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
PubChem CID118739825
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name(2,5-difluorophenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
SMILESCc1cn[nH]c1C1COCCN1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H15F2N3O2/c1-9-7-18-19-14(9)13-8-22-5-4-20(13)15(21)11-6-10(16)2-3-12(11)17/h2-3,6-7,13H,4-5,8H2,1H3,(H,18,19)
InChIKeyLXVVYSIVJWLSHS-UHFFFAOYSA-N
XLogP2.21
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone (CID 118739825) is (2,5-difluorophenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone is Cc1cn[nH]c1C1COCCN1C(=O)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is LXVVYSIVJWLSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c1-9-7-18-19-14(9)13-8-22-5-4-20(13)15(21)11-6-10(16)2-3-12(11)17/h2-3,6-7,13H,4-5,8H2,1H3,(H,18,19).
What are the key properties of (2,5-difluorophenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone?
(2,5-difluorophenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 307.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118739825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).