N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide

C21H19F3N4O3 — CID 71087429

IUPACN-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C21H19F3N4O3/c22-21(23,24)31-18-7-5-17(6-8-18)28-13-15(11-26-28)20(29)27-16-3-1-14(2-4-16)19-12-25-9-10-30-19/h1-8,11,13,19,25H,9-10,12H2,(H,27,29)/t19-/m1/s1
InChIKeyZQPBWSNMSGCBDO-LJQANCHMSA-N
MW432.40 g/mol
LogP3.68
Rot. Bonds5

About N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide

N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide (PubChem CID 71087429) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
PubChem CID71087429
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC NameN-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C21H19F3N4O3/c22-21(23,24)31-18-7-5-17(6-8-18)28-13-15(11-26-28)20(29)27-16-3-1-14(2-4-16)19-12-25-9-10-30-19/h1-8,11,13,19,25H,9-10,12H2,(H,27,29)/t19-/m1/s1
InChIKeyZQPBWSNMSGCBDO-LJQANCHMSA-N
XLogP3.68
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide (CID 71087429) is N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
The InChIKey is ZQPBWSNMSGCBDO-LJQANCHMSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c22-21(23,24)31-18-7-5-17(6-8-18)28-13-15(11-26-28)20(29)27-16-3-1-14(2-4-16)19-12-25-9-10-30-19/h1-8,11,13,19,25H,9-10,12H2,(H,27,29)/t19-/m1/s1.
What are the key properties of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide has a molecular weight of 432.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 71087429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).