1-[(2-chlorophenyl)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide

C20H17ClN4O3 — CID 39141043

IUPAC1-[(2-chlorophenyl)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(N2CCOC2=O)c1)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C20H17ClN4O3/c21-18-7-2-1-4-14(18)12-24-13-15(11-22-24)19(26)23-16-5-3-6-17(10-16)25-8-9-28-20(25)27/h1-7,10-11,13H,8-9,12H2,(H,23,26)
InChIKeyOWDJMRHJSQLHLO-UHFFFAOYSA-N
MW396.83 g/mol
LogP3.79
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 39141043) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide
PubChem CID39141043
Molecular FormulaC20H17ClN4O3
Molecular Weight396.83 g/mol
Exact Mass396.10
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(N2CCOC2=O)c1)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C20H17ClN4O3/c21-18-7-2-1-4-14(18)12-24-13-15(11-22-24)19(26)23-16-5-3-6-17(10-16)25-8-9-28-20(25)27/h1-7,10-11,13H,8-9,12H2,(H,23,26)
InChIKeyOWDJMRHJSQLHLO-UHFFFAOYSA-N
XLogP3.79
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide (CID 39141043) is 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide is O=C(Nc1cccc(N2CCOC2=O)c1)c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is OWDJMRHJSQLHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c21-18-7-2-1-4-14(18)12-24-13-15(11-22-24)19(26)23-16-5-3-6-17(10-16)25-8-9-28-20(25)27/h1-7,10-11,13H,8-9,12H2,(H,23,26).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 396.83 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 39141043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).