N-[3-(2-methylpyrazol-3-yl)-4-[[(3R)-morpholin-3-yl]methoxy]phenyl]-3-(trifluoromethyl)benzamide

C23H23F3N4O3 — CID 66928046

IUPACN-[3-(2-methylpyrazol-3-yl)-4-[[(3R)-morpholin-3-yl]methoxy]phenyl]-3-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OC[C@H]1COCCN1
InChIInChI=1S/C23H23F3N4O3/c1-30-20(7-8-28-30)19-12-17(5-6-21(19)33-14-18-13-32-10-9-27-18)29-22(31)15-3-2-4-16(11-15)23(24,25)26/h2-8,11-12,18,27H,9-10,13-14H2,1H3,(H,29,31)/t18-/m1/s1
InChIKeyOQKHUOPUMXKHKS-GOSISDBHSA-N
MW460.46 g/mol
LogP3.73
Rot. Bonds6

About N-[3-(2-methylpyrazol-3-yl)-4-[[(3R)-morpholin-3-yl]methoxy]phenyl]-3-(trifluoromethyl)benzamide

N-[3-(2-methylpyrazol-3-yl)-4-[[(3R)-morpholin-3-yl]methoxy]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 66928046) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is N-[3-(2-methylpyrazol-3-yl)-4-[[(3R)-morpholin-3-yl]methoxy]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-methylpyrazol-3-yl)-4-[[(3R)-morpholin-3-yl]methoxy]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID66928046
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC NameN-[3-(2-methylpyrazol-3-yl)-4-[[(3R)-morpholin-3-yl]methoxy]phenyl]-3-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OC[C@H]1COCCN1
InChIInChI=1S/C23H23F3N4O3/c1-30-20(7-8-28-30)19-12-17(5-6-21(19)33-14-18-13-32-10-9-27-18)29-22(31)15-3-2-4-16(11-15)23(24,25)26/h2-8,11-12,18,27H,9-10,13-14H2,1H3,(H,29,31)/t18-/m1/s1
InChIKeyOQKHUOPUMXKHKS-GOSISDBHSA-N
XLogP3.73
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 24889856
N-[4-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 66928410
N-[3-(2-methylpyrazol-3-yl)-4-(3-morpholin-4-ylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 66928026
N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,4-oxazepan-4-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 11670336
N-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 66928204
N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 46833683
N-[3-(2-methylpyrazol-3-yl)-4-[2-[4-(2-oxoethyl)piperazin-1-yl]ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 91385964
N-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide
CID 66928193
N-[4-(2-amino-2-methylpropoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethoxy)benzamide
CID 66829318
N-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 66927982
N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119775977
N-[2-(hydroxymethyl)-7-(2-methylpyrazol-3-yl)-1-benzofuran-5-yl]-3-(trifluoromethyl)benzamide
CID 24961962

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpyrazol-3-yl)-4-[[(3R)-morpholin-3-yl]methoxy]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-methylpyrazol-3-yl)-4-[[(3R)-morpholin-3-yl]methoxy]phenyl]-3-(trifluoromethyl)benzamide (CID 66928046) is N-[3-(2-methylpyrazol-3-yl)-4-[[(3R)-morpholin-3-yl]methoxy]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-methylpyrazol-3-yl)-4-[[(3R)-morpholin-3-yl]methoxy]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-methylpyrazol-3-yl)-4-[[(3R)-morpholin-3-yl]methoxy]phenyl]-3-(trifluoromethyl)benzamide is Cn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OC[C@H]1COCCN1.
What is the InChIKey of N-[3-(2-methylpyrazol-3-yl)-4-[[(3R)-morpholin-3-yl]methoxy]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is OQKHUOPUMXKHKS-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-30-20(7-8-28-30)19-12-17(5-6-21(19)33-14-18-13-32-10-9-27-18)29-22(31)15-3-2-4-16(11-15)23(24,25)26/h2-8,11-12,18,27H,9-10,13-14H2,1H3,(H,29,31)/t18-/m1/s1.
What are the key properties of N-[3-(2-methylpyrazol-3-yl)-4-[[(3R)-morpholin-3-yl]methoxy]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-(2-methylpyrazol-3-yl)-4-[[(3R)-morpholin-3-yl]methoxy]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 460.46 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpyrazol-3-yl)-4-[[(3R)-morpholin-3-yl]methoxy]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 66928046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).