1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

C43H42F4N8O6 — CID 157361906

IUPAC1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cnn1-c1ccc(OC(F)F)cc1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cnn(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C22H22F2N4O3.C21H20F2N4O3/c1-14-19(12-26-28(14)17-6-8-18(9-7-17)31-22(23)24)21(29)27-16-4-2-15(3-5-16)20-13-25-10-11-30-20;22-21(23)30-18-7-5-17(6-8-18)27-13-15(11-25-27)20(28)26-16-3-1-14(2-4-16)19-12-24-9-10-29-19/h2-9,12,20,22,25H,10-11,13H2,1H3,(H,27,29);1-8,11,13,19,21,24H,9-10,12H2,(H,26,28)/t20-;19-/m10/s1
InChIKeyBISVQPJIRWOPGC-SXVDFRLUSA-N
MW842.85 g/mol
LogP7.08
Rot. Bonds12

About 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (PubChem CID 157361906) has the molecular formula C43H42F4N8O6 and a molecular weight of 842.85 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
PubChem CID157361906
Molecular FormulaC43H42F4N8O6
Molecular Weight842.85 g/mol
Exact Mass842.32
IUPAC Name1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cnn1-c1ccc(OC(F)F)cc1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cnn(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C22H22F2N4O3.C21H20F2N4O3/c1-14-19(12-26-28(14)17-6-8-18(9-7-17)31-22(23)24)21(29)27-16-4-2-15(3-5-16)20-13-25-10-11-30-20;22-21(23)30-18-7-5-17(6-8-18)27-13-15(11-25-27)20(28)26-16-3-1-14(2-4-16)19-12-24-9-10-29-19/h2-9,12,20,22,25H,10-11,13H2,1H3,(H,27,29);1-8,11,13,19,21,24H,9-10,12H2,(H,26,28)/t20-;19-/m10/s1
InChIKeyBISVQPJIRWOPGC-SXVDFRLUSA-N
XLogP7.08
TPSA154.82 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500842.85
LogP ≤ 57.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086787
1-[4-(difluoromethoxy)phenyl]-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086930
1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087333
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 71087429
1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442208
1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442212
1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442268
1-[4-(difluoromethoxy)phenyl]-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086772
1-[3-(difluoromethoxy)phenyl]-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086935
1-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087670
1-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442154
1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442267

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (CID 157361906) is 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cnn1-c1ccc(OC(F)F)cc1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cnn(-c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The InChIKey is BISVQPJIRWOPGC-SXVDFRLUSA-N. The full InChI is InChI=1S/C22H22F2N4O3.C21H20F2N4O3/c1-14-19(12-26-28(14)17-6-8-18(9-7-17)31-22(23)24)21(29)27-16-4-2-15(3-5-16)20-13-25-10-11-30-20;22-21(23)30-18-7-5-17(6-8-18)27-13-15(11-25-27)20(28)26-16-3-1-14(2-4-16)19-12-24-9-10-29-19/h2-9,12,20,22,25H,10-11,13H2,1H3,(H,27,29);1-8,11,13,19,21,24H,9-10,12H2,(H,26,28)/t20-;19-/m10/s1.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide has a molecular weight of 842.85 g/mol, XLogP of 7.08, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 157361906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).