3-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]-4-methyl-5-oxomorpholine-2-carboxamide

C20H24ClN5O4 — CID 110280685

IUPAC3-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCc1c(NC(=O)C2OCC(=O)N(C)C2c2ccc(Cl)cc2)c(C(=O)N(C)C)nn1C
InChIInChI=1S/C20H24ClN5O4/c1-11-15(16(23-26(11)5)20(29)24(2)3)22-19(28)18-17(25(4)14(27)10-30-18)12-6-8-13(21)9-7-12/h6-9,17-18H,10H2,1-5H3,(H,22,28)
InChIKeyBYFDTUBKZMZPLE-UHFFFAOYSA-N
MW433.90 g/mol
LogP1.62
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]-4-methyl-5-oxomorpholine-2-carboxamide

3-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]-4-methyl-5-oxomorpholine-2-carboxamide (PubChem CID 110280685) has the molecular formula C20H24ClN5O4 and a molecular weight of 433.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]-4-methyl-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]-4-methyl-5-oxomorpholine-2-carboxamide
PubChem CID110280685
Molecular FormulaC20H24ClN5O4
Molecular Weight433.90 g/mol
Exact Mass433.15
IUPAC Name3-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCc1c(NC(=O)C2OCC(=O)N(C)C2c2ccc(Cl)cc2)c(C(=O)N(C)C)nn1C
InChIInChI=1S/C20H24ClN5O4/c1-11-15(16(23-26(11)5)20(29)24(2)3)22-19(28)18-17(25(4)14(27)10-30-18)12-6-8-13(21)9-7-12/h6-9,17-18H,10H2,1-5H3,(H,22,28)
InChIKeyBYFDTUBKZMZPLE-UHFFFAOYSA-N
XLogP1.62
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]-4-methyl-5-oxomorpholine-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]-4-methyl-5-oxomorpholine-2-carboxamide (CID 110280685) is 3-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]-4-methyl-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]-4-methyl-5-oxomorpholine-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]-4-methyl-5-oxomorpholine-2-carboxamide is Cc1c(NC(=O)C2OCC(=O)N(C)C2c2ccc(Cl)cc2)c(C(=O)N(C)C)nn1C.
What is the InChIKey of 3-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]-4-methyl-5-oxomorpholine-2-carboxamide?
The InChIKey is BYFDTUBKZMZPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O4/c1-11-15(16(23-26(11)5)20(29)24(2)3)22-19(28)18-17(25(4)14(27)10-30-18)12-6-8-13(21)9-7-12/h6-9,17-18H,10H2,1-5H3,(H,22,28).
What are the key properties of 3-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]-4-methyl-5-oxomorpholine-2-carboxamide?
3-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]-4-methyl-5-oxomorpholine-2-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]-4-methyl-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 110280685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).