5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide

C24H23Cl3N4O2 — CID 67158956

IUPAC5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
SMILESCC(=Cc1ccc(Cl)cc1)c1c(C)c(C(=O)NN2CCOCC2)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H23Cl3N4O2/c1-15(13-17-3-5-18(25)6-4-17)23-16(2)22(24(32)29-30-9-11-33-12-10-30)28-31(23)21-8-7-19(26)14-20(21)27/h3-8,13-14H,9-12H2,1-2H3,(H,29,32)
InChIKeyTWRDDXISTMHJEJ-UHFFFAOYSA-N
MW505.83 g/mol
LogP5.68
Rot. Bonds5

About 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide

5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide (PubChem CID 67158956) has the molecular formula C24H23Cl3N4O2 and a molecular weight of 505.83 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
PubChem CID67158956
Molecular FormulaC24H23Cl3N4O2
Molecular Weight505.83 g/mol
Exact Mass504.09
IUPAC Name5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
SMILESCC(=Cc1ccc(Cl)cc1)c1c(C)c(C(=O)NN2CCOCC2)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H23Cl3N4O2/c1-15(13-17-3-5-18(25)6-4-17)23-16(2)22(24(32)29-30-9-11-33-12-10-30)28-31(23)21-8-7-19(26)14-20(21)27/h3-8,13-14H,9-12H2,1-2H3,(H,29,32)
InChIKeyTWRDDXISTMHJEJ-UHFFFAOYSA-N
XLogP5.68
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.83
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide (CID 67158956) is 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide is CC(=Cc1ccc(Cl)cc1)c1c(C)c(C(=O)NN2CCOCC2)nn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?
The InChIKey is TWRDDXISTMHJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl3N4O2/c1-15(13-17-3-5-18(25)6-4-17)23-16(2)22(24(32)29-30-9-11-33-12-10-30)28-31(23)21-8-7-19(26)14-20(21)27/h3-8,13-14H,9-12H2,1-2H3,(H,29,32).
What are the key properties of 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?
5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide has a molecular weight of 505.83 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 67158956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).