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

C42H38F3N9O5 — CID 161369253

IUPAC1-(4-cyano-2-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESN#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cn2)c(F)c1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C21H20F2N4O3.C21H18FN5O2/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;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/h1-7,10-11,13,19,21,24H,8-9,12H2,(H,26,28);1-6,9,11,13,20,24H,7-8,12H2,(H,26,28)/t19-;20-/m11/s1
InChIKeyVQFZWWBSSFSAGD-ZOKFUURZSA-N
MW805.82 g/mol
LogP6.18
Rot. Bonds10

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

1-(4-cyano-2-fluorophenyl)-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 161369253) has the molecular formula C42H38F3N9O5 and a molecular weight of 805.82 g/mol. Its IUPAC name is 1-(4-cyano-2-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-2-fluorophenyl)-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 CID161369253
Molecular FormulaC42H38F3N9O5
Molecular Weight805.82 g/mol
Exact Mass805.29
IUPAC Name1-(4-cyano-2-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
SMILESN#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cn2)c(F)c1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C21H20F2N4O3.C21H18FN5O2/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;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/h1-7,10-11,13,19,21,24H,8-9,12H2,(H,26,28);1-6,9,11,13,20,24H,7-8,12H2,(H,26,28)/t19-;20-/m11/s1
InChIKeyVQFZWWBSSFSAGD-ZOKFUURZSA-N
XLogP6.18
TPSA169.38 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500805.82
LogP ≤ 56.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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-cyano-2-fluorophenyl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086724
1-[4-(difluoromethoxy)phenyl]-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086772
1-(4-cyano-2-fluorophenyl)-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086882
1-[3-(difluoromethoxy)phenyl]-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086935
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086987
1-(4-cyanophenyl)-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71087011
1-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442154

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-cyano-2-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide (CID 161369253) is 1-(4-cyano-2-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-2-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-cyano-2-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is N#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)cn2)c(F)c1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2cccc(OC(F)F)c2)c1.
What is the InChIKey of 1-(4-cyano-2-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
The InChIKey is VQFZWWBSSFSAGD-ZOKFUURZSA-N. The full InChI is InChI=1S/C21H20F2N4O3.C21H18FN5O2/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;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/h1-7,10-11,13,19,21,24H,8-9,12H2,(H,26,28);1-6,9,11,13,20,24H,7-8,12H2,(H,26,28)/t19-;20-/m11/s1.
What are the key properties of 1-(4-cyano-2-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide?
1-(4-cyano-2-fluorophenyl)-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 805.82 g/mol, XLogP of 6.18, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-[3-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 161369253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).