N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide

C21H18FN5O2 — CID 71086881

IUPACN-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESN#Cc1cc(C2CNCCO2)ccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H18FN5O2/c22-16-2-4-17(5-3-16)27-9-7-19(26-27)21(28)25-18-6-1-14(11-15(18)12-23)20-13-24-8-10-29-20/h1-7,9,11,20,24H,8,10,13H2,(H,25,28)
InChIKeyWSLLYGXCNYEFLW-UHFFFAOYSA-N
MW391.41 g/mol
LogP2.80
Rot. Bonds4

About N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 71086881) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID71086881
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC NameN-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESN#Cc1cc(C2CNCCO2)ccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H18FN5O2/c22-16-2-4-17(5-3-16)27-9-7-19(26-27)21(28)25-18-6-1-14(11-15(18)12-23)20-13-24-8-10-29-20/h1-7,9,11,20,24H,8,10,13H2,(H,25,28)
InChIKeyWSLLYGXCNYEFLW-UHFFFAOYSA-N
XLogP2.80
TPSA91.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087333
N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71112658
1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 73442099
N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide
CID 67239104
1-(4-cyano-2-fluorophenyl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086724
N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71086815
N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 71086830
1-(4-cyano-2-fluorophenyl)-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086882
1-(4-cyanophenyl)-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71087011
N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 71087052
N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71087146
3-(3-cyanophenyl)-1-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
CID 71087398

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 71086881) is N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide is N#Cc1cc(C2CNCCO2)ccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is WSLLYGXCNYEFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c22-16-2-4-17(5-3-16)27-9-7-19(26-27)21(28)25-18-6-1-14(11-15(18)12-23)20-13-24-8-10-29-20/h1-7,9,11,20,24H,8,10,13H2,(H,25,28).
What are the key properties of N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71086881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).