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-3-carboxamide

C42H38F3N9O4 — CID 162190172

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-3-carboxamide
SMILESN#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)cn2)c(F)c1.O=C(Nc1ccc(C2CCNC2)cc1)c1ccn(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C21H20F2N4O2.C21H18FN5O2/c22-21(23)29-18-7-5-17(6-8-18)27-12-10-19(26-27)20(28)25-16-3-1-14(2-4-16)15-9-11-24-13-15;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/h1-8,10,12,15,21,24H,9,11,13H2,(H,25,28);1-6,9,11,13,20,24H,7-8,12H2,(H,26,28)/t;20-/m.0/s1
InChIKeyZQEQFHPYGCGVDT-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-3-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-3-carboxamide (PubChem CID 162190172) 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-3-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-3-carboxamide
PubChem CID162190172
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-3-carboxamide
SMILESN#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)cn2)c(F)c1.O=C(Nc1ccc(C2CCNC2)cc1)c1ccn(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C21H20F2N4O2.C21H18FN5O2/c22-21(23)29-18-7-5-17(6-8-18)27-12-10-19(26-27)20(28)25-16-3-1-14(2-4-16)15-9-11-24-13-15;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/h1-8,10,12,15,21,24H,9,11,13H2,(H,25,28);1-6,9,11,13,20,24H,7-8,12H2,(H,26,28)/t;20-/m.0/s1
InChIKeyZQEQFHPYGCGVDT-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-3-carboxamide with MolForge

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087333
1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442268
1-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087670
1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442267
1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087332
1-[4-(difluoromethoxy)phenyl]-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide
CID 71087335
(S)-1-(4-(difluoromethoxy)phenyl)-N-(4-(morpholin-2-yl)phenyl)-1H-pyrazole-3-carboxamide hydrochloride
CID 71087669
2-[4-[[1-[4-(Difluoromethoxy)phenyl]pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid
CID 71087967
(S)-tert-Butyl 2-(4-(1-(4-(difluoromethoxy)phenyl)-1H-pyrazole-3-carboxamido)phenyl)morpholine-4-carboxylate
CID 86674810
1-[4-(difluoromethoxy)phenyl]-3-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;hydrochloride
CID 90047416
1-[4-(difluoromethoxy)phenyl]-3-methyl-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide
CID 90047419
1-[4-(difluoromethoxy)phenyl]-5-methyl-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide
CID 90047461

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-3-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-3-carboxamide (CID 162190172) 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-3-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-3-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-3-carboxamide is N#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)cn2)c(F)c1.O=C(Nc1ccc(C2CCNC2)cc1)c1ccn(-c2ccc(OC(F)F)cc2)n1.
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-3-carboxamide?
The InChIKey is ZQEQFHPYGCGVDT-ICZAGBKOSA-N. The full InChI is InChI=1S/C21H20F2N4O2.C21H18FN5O2/c22-21(23)29-18-7-5-17(6-8-18)27-12-10-19(26-27)20(28)25-16-3-1-14(2-4-16)15-9-11-24-13-15;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/h1-8,10,12,15,21,24H,9,11,13H2,(H,25,28);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-3-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-3-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-3-carboxamide is sourced from PubChem (CID 162190172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).