1-(4-cyanophenyl)-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

C44H43F2N9O5 — CID 161061310

IUPAC1-(4-cyanophenyl)-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cnn1-c1ccc(C#N)cc1.Cc1nn(-c2ccc(OC(F)F)cc2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1
InChIInChI=1S/C22H22F2N4O3.C22H21N5O2/c1-14-19(13-28(27-14)17-6-8-18(9-7-17)31-22(23)24)21(29)26-16-4-2-15(3-5-16)20-12-25-10-11-30-20;1-15-20(13-25-27(15)19-8-2-16(12-23)3-9-19)22(28)26-18-6-4-17(5-7-18)21-14-24-10-11-29-21/h2-9,13,20,22,25H,10-12H2,1H3,(H,26,29);2-9,13,21,24H,10-11,14H2,1H3,(H,26,28)/t20-;21-/m11/s1
InChIKeyUDKWKVJFKMGYMY-RFUQBWFVSA-N
MW815.88 g/mol
LogP6.66
Rot. Bonds10

About 1-(4-cyanophenyl)-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

1-(4-cyanophenyl)-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (PubChem CID 161061310) has the molecular formula C44H43F2N9O5 and a molecular weight of 815.88 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
PubChem CID161061310
Molecular FormulaC44H43F2N9O5
Molecular Weight815.88 g/mol
Exact Mass815.34
IUPAC Name1-(4-cyanophenyl)-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cnn1-c1ccc(C#N)cc1.Cc1nn(-c2ccc(OC(F)F)cc2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1
InChIInChI=1S/C22H22F2N4O3.C22H21N5O2/c1-14-19(13-28(27-14)17-6-8-18(9-7-17)31-22(23)24)21(29)26-16-4-2-15(3-5-16)20-12-25-10-11-30-20;1-15-20(13-25-27(15)19-8-2-16(12-23)3-9-19)22(28)26-18-6-4-17(5-7-18)21-14-24-10-11-29-21/h2-9,13,20,22,25H,10-12H2,1H3,(H,26,29);2-9,13,21,24H,10-11,14H2,1H3,(H,26,28)/t20-;21-/m11/s1
InChIKeyUDKWKVJFKMGYMY-RFUQBWFVSA-N
XLogP6.66
TPSA169.38 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500815.88
LogP ≤ 56.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 1-(4-cyanophenyl)-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-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-[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-[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
1-(4-methoxyphenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442098
N-[3-Cyano-4-(3-morpholinopropoxy) phenyl]-5-methyl-1-(4-trifluoromethylphenyl)pyrazole-4-carboxamide
CID 17822715

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-cyanophenyl)-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (CID 161061310) is 1-(4-cyanophenyl)-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-cyanophenyl)-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-cyanophenyl)-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cnn1-c1ccc(C#N)cc1.Cc1nn(-c2ccc(OC(F)F)cc2)cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The InChIKey is UDKWKVJFKMGYMY-RFUQBWFVSA-N. The full InChI is InChI=1S/C22H22F2N4O3.C22H21N5O2/c1-14-19(13-28(27-14)17-6-8-18(9-7-17)31-22(23)24)21(29)26-16-4-2-15(3-5-16)20-12-25-10-11-30-20;1-15-20(13-25-27(15)19-8-2-16(12-23)3-9-19)22(28)26-18-6-4-17(5-7-18)21-14-24-10-11-29-21/h2-9,13,20,22,25H,10-12H2,1H3,(H,26,29);2-9,13,21,24H,10-11,14H2,1H3,(H,26,28)/t20-;21-/m11/s1.
What are the key properties of 1-(4-cyanophenyl)-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
1-(4-cyanophenyl)-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide has a molecular weight of 815.88 g/mol, XLogP of 6.66, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 161061310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).