1-(4-cyano-2-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide

C42H38F3N9O4 — CID 157103067

IUPAC1-(4-cyano-2-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide
SMILESN#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)cn2)c(F)c1.O=C(Nc1ccc(C2CCNC2)cc1)c1cnn(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C21H20F2N4O2.C21H18FN5O2/c22-21(23)29-19-7-5-18(6-8-19)27-13-16(12-25-27)20(28)26-17-3-1-14(2-4-17)15-9-10-24-11-15;22-18-9-14(10-23)1-6-19(18)27-13-16(11-25-27)21(28)26-17-4-2-15(3-5-17)20-12-24-7-8-29-20/h1-8,12-13,15,21,24H,9-11H2,(H,26,28);1-6,9,11,13,20,24H,7-8,12H2,(H,26,28)/t;20-/m.0/s1
InChIKeyAFZIVBUEFPSHCL-ICZAGBKOSA-N
MW789.82 g/mol
LogP6.60
Rot. Bonds10

About 1-(4-cyano-2-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide

1-(4-cyano-2-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide (PubChem CID 157103067) has the molecular formula C42H38F3N9O4 and a molecular weight of 789.82 g/mol. Its IUPAC name is 1-(4-cyano-2-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-2-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide
PubChem CID157103067
Molecular FormulaC42H38F3N9O4
Molecular Weight789.82 g/mol
Exact Mass789.30
IUPAC Name1-(4-cyano-2-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide
SMILESN#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)cn2)c(F)c1.O=C(Nc1ccc(C2CCNC2)cc1)c1cnn(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C21H20F2N4O2.C21H18FN5O2/c22-21(23)29-19-7-5-18(6-8-19)27-13-16(12-25-27)20(28)26-17-3-1-14(2-4-17)15-9-10-24-11-15;22-18-9-14(10-23)1-6-19(18)27-13-16(11-25-27)21(28)26-17-4-2-15(3-5-17)20-12-24-7-8-29-20/h1-8,12-13,15,21,24H,9-11H2,(H,26,28);1-6,9,11,13,20,24H,7-8,12H2,(H,26,28)/t;20-/m.0/s1
InChIKeyAFZIVBUEFPSHCL-ICZAGBKOSA-N
XLogP6.60
TPSA160.15 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500789.82
LogP ≤ 56.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 1-(4-cyano-2-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide with MolForge

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Related Compounds

1-(4-cyano-2-fluorophenyl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086724
2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;1-(4-cyano-2-fluorophenyl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 162144099
1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 90047494
1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;hydrochloride
CID 90047492
1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide
CID 90047328
1-[4-(difluoromethoxy)phenyl]-N-(4-morpholin-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 90047267
N-(3-chloro-4-morpholin-2-ylphenyl)-1-(4-cyanophenyl)pyrazole-4-carboxamide
CID 71086948
N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide
CID 90047286
2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;1-(4-cyano-2-fluorophenyl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;pyridine-2-carboxamide
CID 158152857
1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 90047611
N-(4-morpholin-2-ylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 90047385
1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide
CID 90047409

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-cyano-2-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide (CID 157103067) is 1-(4-cyano-2-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-2-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-cyano-2-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide is N#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)cn2)c(F)c1.O=C(Nc1ccc(C2CCNC2)cc1)c1cnn(-c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 1-(4-cyano-2-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide?
The InChIKey is AFZIVBUEFPSHCL-ICZAGBKOSA-N. The full InChI is InChI=1S/C21H20F2N4O2.C21H18FN5O2/c22-21(23)29-19-7-5-18(6-8-19)27-13-16(12-25-27)20(28)26-17-3-1-14(2-4-17)15-9-10-24-11-15;22-18-9-14(10-23)1-6-19(18)27-13-16(11-25-27)21(28)26-17-4-2-15(3-5-17)20-12-24-7-8-29-20/h1-8,12-13,15,21,24H,9-11H2,(H,26,28);1-6,9,11,13,20,24H,7-8,12H2,(H,26,28)/t;20-/m.0/s1.
What are the key properties of 1-(4-cyano-2-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide?
1-(4-cyano-2-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide has a molecular weight of 789.82 g/mol, XLogP of 6.60, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 157103067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).