N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide;N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide

C40H36ClF3N8O4 — CID 159784994

IUPACN-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide;N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1Cl)c1cnn(-c2ccc(F)cc2)c1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1F)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H18ClFN4O2.C20H18F2N4O2/c21-17-9-13(19-11-23-7-8-28-19)1-6-18(17)25-20(27)14-10-24-26(12-14)16-4-2-15(22)3-5-16;21-15-2-4-16(5-3-15)26-12-14(10-24-26)20(27)25-18-6-1-13(9-17(18)22)19-11-23-7-8-28-19/h2*1-6,9-10,12,19,23H,7-8,11H2,(H,25,27)/t;19-/m.0/s1
InChIKeyNHVKUXAPUXYRMQ-XUUOJJPQSA-N
MW785.23 g/mol
LogP6.64
Rot. Bonds8

About N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide;N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide

N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide;N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 159784994) has the molecular formula C40H36ClF3N8O4 and a molecular weight of 785.23 g/mol. Its IUPAC name is N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide;N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide;N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
PubChem CID159784994
Molecular FormulaC40H36ClF3N8O4
Molecular Weight785.23 g/mol
Exact Mass784.25
IUPAC NameN-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide;N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1Cl)c1cnn(-c2ccc(F)cc2)c1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1F)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H18ClFN4O2.C20H18F2N4O2/c21-17-9-13(19-11-23-7-8-28-19)1-6-18(17)25-20(27)14-10-24-26(12-14)16-4-2-15(22)3-5-16;21-15-2-4-16(5-3-15)26-12-14(10-24-26)20(27)25-18-6-1-13(9-17(18)22)19-11-23-7-8-28-19/h2*1-6,9-10,12,19,23H,7-8,11H2,(H,25,27)/t;19-/m.0/s1
InChIKeyNHVKUXAPUXYRMQ-XUUOJJPQSA-N
XLogP6.64
TPSA136.36 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.23
LogP ≤ 56.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide;N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide;N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide (CID 159784994) is N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide;N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide;N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide;N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1Cl)c1cnn(-c2ccc(F)cc2)c1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1F)c1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide;N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is NHVKUXAPUXYRMQ-XUUOJJPQSA-N. The full InChI is InChI=1S/C20H18ClFN4O2.C20H18F2N4O2/c21-17-9-13(19-11-23-7-8-28-19)1-6-18(17)25-20(27)14-10-24-26(12-14)16-4-2-15(22)3-5-16;21-15-2-4-16(5-3-15)26-12-14(10-24-26)20(27)25-18-6-1-13(9-17(18)22)19-11-23-7-8-28-19/h2*1-6,9-10,12,19,23H,7-8,11H2,(H,25,27)/t;19-/m.0/s1.
What are the key properties of N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide;N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide?
N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide;N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 785.23 g/mol, XLogP of 6.64, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide;N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 159784994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).