1-benzyl-3,5-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide

C22H22N4O3 — CID 55617228

IUPAC1-benzyl-3,5-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C22H22N4O3/c1-15-20(16(2)26(24-15)14-17-7-4-3-5-8-17)21(27)23-18-9-6-10-19(13-18)25-11-12-29-22(25)28/h3-10,13H,11-12,14H2,1-2H3,(H,23,27)
InChIKeyDIZDLMXVDLRLRP-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.76
Rot. Bonds5

About 1-benzyl-3,5-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide

1-benzyl-3,5-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 55617228) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-benzyl-3,5-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3,5-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide
PubChem CID55617228
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name1-benzyl-3,5-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C22H22N4O3/c1-15-20(16(2)26(24-15)14-17-7-4-3-5-8-17)21(27)23-18-9-6-10-19(13-18)25-11-12-29-22(25)28/h3-10,13H,11-12,14H2,1-2H3,(H,23,27)
InChIKeyDIZDLMXVDLRLRP-UHFFFAOYSA-N
XLogP3.76
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 86835892
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1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylpyrazole-4-carboxamide
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CID 9042189
1-benzyl-3,5-dimethyl-N-(4-methylsulfanylphenyl)pyrazole-4-carboxamide
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(2S)-2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-phenylpentanamide
CID 97258741
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3,5-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide (CID 55617228) is 1-benzyl-3,5-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3,5-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3,5-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cccc(N2CCOC2=O)c1.
What is the InChIKey of 1-benzyl-3,5-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is DIZDLMXVDLRLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15-20(16(2)26(24-15)14-17-7-4-3-5-8-17)21(27)23-18-9-6-10-19(13-18)25-11-12-29-22(25)28/h3-10,13H,11-12,14H2,1-2H3,(H,23,27).
What are the key properties of 1-benzyl-3,5-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide?
1-benzyl-3,5-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55617228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).