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

C14H13F2N3O2 — CID 124605948

IUPAC[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H13F2N3O2/c15-11-2-1-9(5-12(11)16)13-8-19(3-4-21-13)14(20)10-6-17-18-7-10/h1-2,5-7,13H,3-4,8H2,(H,17,18)/t13-/m1/s1
InChIKeyZQQAGTYNAJMAOW-CYBMUJFWSA-N
MW293.27 g/mol
LogP1.90
Rot. Bonds2

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

[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 124605948) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is [(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID124605948
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC Name[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H13F2N3O2/c15-11-2-1-9(5-12(11)16)13-8-19(3-4-21-13)14(20)10-6-17-18-7-10/h1-2,5-7,13H,3-4,8H2,(H,17,18)/t13-/m1/s1
InChIKeyZQQAGTYNAJMAOW-CYBMUJFWSA-N
XLogP1.90
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 60958921
[(2R)-2-(2,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 124618941
[2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone
CID 110364434
(3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone
CID 110364027
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315578
[2-(3,4-difluorophenyl)morpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119769790
[2-(chloromethyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 81210941
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone
CID 119769794
[2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120930572
3-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122065502
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 95197408
(2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide
CID 129425263

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone (CID 124605948) is [(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1.
What is the InChIKey of [(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is ZQQAGTYNAJMAOW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c15-11-2-1-9(5-12(11)16)13-8-19(3-4-21-13)14(20)10-6-17-18-7-10/h1-2,5-7,13H,3-4,8H2,(H,17,18)/t13-/m1/s1.
What are the key properties of [(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone?
[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 293.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 124605948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).