1-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide

C23H22F4N4O2 — CID 52833946

IUPAC1-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide
SMILESO=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C23H22F4N4O2/c24-18-2-1-3-19(14-18)31-9-8-20(29-31)22(32)28-15-21(30-10-12-33-13-11-30)16-4-6-17(7-5-16)23(25,26)27/h1-9,14,21H,10-13,15H2,(H,28,32)/t21-/m1/s1
InChIKeyMFTVLMVLJTZWFM-OAQYLSRUSA-N
MW462.45 g/mol
LogP3.83
Rot. Bonds6

About 1-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide

1-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide (PubChem CID 52833946) has the molecular formula C23H22F4N4O2 and a molecular weight of 462.45 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide
PubChem CID52833946
Molecular FormulaC23H22F4N4O2
Molecular Weight462.45 g/mol
Exact Mass462.17
IUPAC Name1-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide
SMILESO=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C23H22F4N4O2/c24-18-2-1-3-19(14-18)31-9-8-20(29-31)22(32)28-15-21(30-10-12-33-13-11-30)16-4-6-17(7-5-16)23(25,26)27/h1-9,14,21H,10-13,15H2,(H,28,32)/t21-/m1/s1
InChIKeyMFTVLMVLJTZWFM-OAQYLSRUSA-N
XLogP3.83
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 51641243
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8504243
4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 60615350
2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride
CID 119946956
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 60592531
N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide
CID 94799529
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 47081662
1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide
CID 55650784
2-methyl-3-(methylamino)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119872548
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 60592666
3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide
CID 31205411
(2R)-2-methylsulfanyl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 52511635

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide (CID 52833946) is 1-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide is O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide?
The InChIKey is MFTVLMVLJTZWFM-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H22F4N4O2/c24-18-2-1-3-19(14-18)31-9-8-20(29-31)22(32)28-15-21(30-10-12-33-13-11-30)16-4-6-17(7-5-16)23(25,26)27/h1-9,14,21H,10-13,15H2,(H,28,32)/t21-/m1/s1.
What are the key properties of 1-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide?
1-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide has a molecular weight of 462.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 52833946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).