[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone

C16H16F3N3O3 — CID 95468822

IUPAC[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCO[C@H](C(F)(F)F)C2)[nH]n1
InChIInChI=1S/C16H16F3N3O3/c1-24-13-5-3-2-4-10(13)11-8-12(21-20-11)15(23)22-6-7-25-14(9-22)16(17,18)19/h2-5,8,14H,6-7,9H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyCGDGFJFVXLABQC-AWEZNQCLSA-N
MW355.32 g/mol
LogP2.49
Rot. Bonds3

About [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone

[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 95468822) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID95468822
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Name[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCO[C@H](C(F)(F)F)C2)[nH]n1
InChIInChI=1S/C16H16F3N3O3/c1-24-13-5-3-2-4-10(13)11-8-12(21-20-11)15(23)22-6-7-25-14(9-22)16(17,18)19/h2-5,8,14H,6-7,9H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyCGDGFJFVXLABQC-AWEZNQCLSA-N
XLogP2.49
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 97132778
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
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[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 155981928
4-[1-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628763
(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 135094324
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122249650
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590219
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 29029295
4-cyclopentyl-5-[1-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 121115004
3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 156565673
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone
CID 90632819
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone (CID 95468822) is [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone is COc1ccccc1-c1cc(C(=O)N2CCO[C@H](C(F)(F)F)C2)[nH]n1.
What is the InChIKey of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is CGDGFJFVXLABQC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-24-13-5-3-2-4-10(13)11-8-12(21-20-11)15(23)22-6-7-25-14(9-22)16(17,18)19/h2-5,8,14H,6-7,9H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 355.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 95468822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).