[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

C17H19ClFN3O2 — CID 27660722

IUPAC[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H19ClFN3O2/c1-10-8-21(9-11(2)24-10)17(23)15-12(3)20-22(16(15)18)14-6-4-13(19)5-7-14/h4-7,10-11H,8-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyPJTGWQGKMMXAQD-QWRGUYRKSA-N
MW351.81 g/mol
LogP3.22
Rot. Bonds2

About [5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 27660722) has the molecular formula C17H19ClFN3O2 and a molecular weight of 351.81 g/mol. Its IUPAC name is [5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID27660722
Molecular FormulaC17H19ClFN3O2
Molecular Weight351.81 g/mol
Exact Mass351.11
IUPAC Name[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H19ClFN3O2/c1-10-8-21(9-11(2)24-10)17(23)15-12(3)20-22(16(15)18)14-6-4-13(19)5-7-14/h4-7,10-11H,8-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyPJTGWQGKMMXAQD-QWRGUYRKSA-N
XLogP3.22
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 27257536
ethyl 1-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperidine-3-carboxylate
CID 46612215
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]methanone
CID 7283540
[4-(benzenesulfonyl)piperazin-1-yl]-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methanone
CID 27509662
[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
CID 7691017
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694964
[4-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 55785360
N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8701464
(4-benzylsulfonylpiperazin-1-yl)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methanone
CID 27757260
(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 42758584
(5-chloro-1,3-dimethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 18282259
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]methanone
CID 7328385

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 27660722) is [5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of [5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is PJTGWQGKMMXAQD-QWRGUYRKSA-N. The full InChI is InChI=1S/C17H19ClFN3O2/c1-10-8-21(9-11(2)24-10)17(23)15-12(3)20-22(16(15)18)14-6-4-13(19)5-7-14/h4-7,10-11H,8-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of [5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 351.81 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 27660722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).