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

C21H20F2N4O3 — CID 73442208

IUPAC1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C21H20F2N4O3/c22-21(23)30-18-3-1-2-17(10-18)27-13-15(11-25-27)20(28)26-16-6-4-14(5-7-16)19-12-24-8-9-29-19/h1-7,10-11,13,19,21,24H,8-9,12H2,(H,26,28)/t19-/m1/s1
InChIKeyYLJKNPJUXKEMGA-LJQANCHMSA-N
MW414.41 g/mol
LogP3.39
Rot. Bonds6

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

1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (PubChem CID 73442208) has the molecular formula C21H20F2N4O3 and a molecular weight of 414.41 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
PubChem CID73442208
Molecular FormulaC21H20F2N4O3
Molecular Weight414.41 g/mol
Exact Mass414.15
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C21H20F2N4O3/c22-21(23)30-18-3-1-2-17(10-18)27-13-15(11-25-27)20(28)26-16-6-4-14(5-7-16)19-12-24-8-9-29-19/h1-7,10-11,13,19,21,24H,8-9,12H2,(H,26,28)/t19-/m1/s1
InChIKeyYLJKNPJUXKEMGA-LJQANCHMSA-N
XLogP3.39
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (CID 73442208) is 1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2cccc(OC(F)F)c2)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The InChIKey is YLJKNPJUXKEMGA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20F2N4O3/c22-21(23)30-18-3-1-2-17(10-18)27-13-15(11-25-27)20(28)26-16-6-4-14(5-7-16)19-12-24-8-9-29-19/h1-7,10-11,13,19,21,24H,8-9,12H2,(H,26,28)/t19-/m1/s1.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide has a molecular weight of 414.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 73442208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).