N-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

C24H24FN5O2S — CID 22228047

IUPACN-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(SCCN3CCOCC3)c(C#N)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C24H24FN5O2S/c1-17-22(16-27-30(17)21-5-2-19(25)3-6-21)24(31)28-20-4-7-23(18(14-20)15-26)33-13-10-29-8-11-32-12-9-29/h2-7,14,16H,8-13H2,1H3,(H,28,31)
InChIKeyBCGJCOMRJTYQOH-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.87
Rot. Bonds7

About N-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

N-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 22228047) has the molecular formula C24H24FN5O2S and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID22228047
Molecular FormulaC24H24FN5O2S
Molecular Weight465.55 g/mol
Exact Mass465.16
IUPAC NameN-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(SCCN3CCOCC3)c(C#N)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C24H24FN5O2S/c1-17-22(16-27-30(17)21-5-2-19(25)3-6-21)24(31)28-20-4-7-23(18(14-20)15-26)33-13-10-29-8-11-32-12-9-29/h2-7,14,16H,8-13H2,1H3,(H,28,31)
InChIKeyBCGJCOMRJTYQOH-UHFFFAOYSA-N
XLogP3.87
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-[3-cyano-4-(3-morpholin-4-ylpropylsulfanyl)phenyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 22227897
ethyl 4-[4-[2-cyano-4-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]phenyl]piperazin-1-yl]butanoate
CID 21018347
N-[3-cyano-4-[2-(dimethylamino)ethoxy]phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 21018359
N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1-(4-iodophenyl)-5-methylpyrazole-4-carboxamide
CID 22227924
N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-1-(3,4-difluorophenyl)-5-methylpyrazole-4-carboxamide
CID 22227981
1-(4-bromophenyl)-N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-5-methylpyrazole-4-carboxamide
CID 22228018
N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide;methane
CID 158319289
1-(4-fluorophenyl)-5-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 34453775
1-(4-chlorophenyl)-N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-5-methylpyrazole-4-carboxamide;hydrate
CID 22228136
1-(4-chlorophenyl)-N-[3-cyano-4-[4-(4-oxidomorpholin-4-ium-4-yl)piperidin-1-yl]phenyl]-5-methylpyrazole-4-carboxamide
CID 21018323
1-(4-fluorophenyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 45255298
N-[4-(diethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39694099

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 22228047) is N-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(SCCN3CCOCC3)c(C#N)c2)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is BCGJCOMRJTYQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2S/c1-17-22(16-27-30(17)21-5-2-19(25)3-6-21)24(31)28-20-4-7-23(18(14-20)15-26)33-13-10-29-8-11-32-12-9-29/h2-7,14,16H,8-13H2,1H3,(H,28,31).
What are the key properties of N-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 22228047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).