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

C24H23ClF2N4O2 — CID 25191856

IUPAC5-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-difluorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
SMILESC/C(=C\c1ccc(Cl)cc1)c1c(C)c(C(=O)NN2CCOCC2)nn1-c1ccc(F)cc1F
InChIInChI=1S/C24H23ClF2N4O2/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)/b15-13+
InChIKeyOTQYSTSOXRTUIP-FYWRMAATSA-N
MW472.92 g/mol
LogP4.65
Rot. Bonds5

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

5-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-difluorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide (PubChem CID 25191856) has the molecular formula C24H23ClF2N4O2 and a molecular weight of 472.92 g/mol. Its IUPAC name is 5-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-difluorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-difluorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
PubChem CID25191856
Molecular FormulaC24H23ClF2N4O2
Molecular Weight472.92 g/mol
Exact Mass472.15
IUPAC Name5-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-difluorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
SMILESC/C(=C\c1ccc(Cl)cc1)c1c(C)c(C(=O)NN2CCOCC2)nn1-c1ccc(F)cc1F
InChIInChI=1S/C24H23ClF2N4O2/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)/b15-13+
InChIKeyOTQYSTSOXRTUIP-FYWRMAATSA-N
XLogP4.65
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.92
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-difluorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 5-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-difluorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide (CID 25191856) is 5-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-difluorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-difluorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-difluorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide is C/C(=C\c1ccc(Cl)cc1)c1c(C)c(C(=O)NN2CCOCC2)nn1-c1ccc(F)cc1F.
What is the InChIKey of 5-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-difluorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?
The InChIKey is OTQYSTSOXRTUIP-FYWRMAATSA-N. The full InChI is InChI=1S/C24H23ClF2N4O2/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)/b15-13+.
What are the key properties of 5-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-difluorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide?
5-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-difluorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide has a molecular weight of 472.92 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-difluorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 25191856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).