1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide

C24H24N4O2 — CID 24980540

IUPAC1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide
SMILESCCc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCc2ccc(C)cc2)on1
InChIInChI=1S/C24H24N4O2/c1-3-20-13-21(30-27-20)16-28-23(14-22(26-28)19-7-5-4-6-8-19)24(29)25-15-18-11-9-17(2)10-12-18/h4-14H,3,15-16H2,1-2H3,(H,25,29)
InChIKeyLEHVERSPAGTILU-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.39
Rot. Bonds7

About 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide

1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide (PubChem CID 24980540) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide
PubChem CID24980540
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide
SMILESCCc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCc2ccc(C)cc2)on1
InChIInChI=1S/C24H24N4O2/c1-3-20-13-21(30-27-20)16-28-23(14-22(26-28)19-7-5-4-6-8-19)24(29)25-15-18-11-9-17(2)10-12-18/h4-14H,3,15-16H2,1-2H3,(H,25,29)
InChIKeyLEHVERSPAGTILU-UHFFFAOYSA-N
XLogP4.39
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide?
The IUPAC name of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide (CID 24980540) is 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide is CCc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCc2ccc(C)cc2)on1.
What is the InChIKey of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide?
The InChIKey is LEHVERSPAGTILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-3-20-13-21(30-27-20)16-28-23(14-22(26-28)19-7-5-4-6-8-19)24(29)25-15-18-11-9-17(2)10-12-18/h4-14H,3,15-16H2,1-2H3,(H,25,29).
What are the key properties of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide?
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 24980540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).