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

C19H22N4O2 — CID 56862365

IUPAC1-ethyl-3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)NCc2cc(-c3ccc(C)cc3)on2)c1C
InChIInChI=1S/C19H22N4O2/c1-5-23-14(4)18(13(3)21-23)19(24)20-11-16-10-17(25-22-16)15-8-6-12(2)7-9-15/h6-10H,5,11H2,1-4H3,(H,20,24)
InChIKeyDWZZYRDSBODQEZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.41
Rot. Bonds5

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

1-ethyl-3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 56862365) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]pyrazole-4-carboxamide
PubChem CID56862365
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-ethyl-3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)NCc2cc(-c3ccc(C)cc3)on2)c1C
InChIInChI=1S/C19H22N4O2/c1-5-23-14(4)18(13(3)21-23)19(24)20-11-16-10-17(25-22-16)15-8-6-12(2)7-9-15/h6-10H,5,11H2,1-4H3,(H,20,24)
InChIKeyDWZZYRDSBODQEZ-UHFFFAOYSA-N
XLogP3.41
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]pyrazole-4-carboxamide (CID 56862365) is 1-ethyl-3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]pyrazole-4-carboxamide is CCn1nc(C)c(C(=O)NCc2cc(-c3ccc(C)cc3)on2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is DWZZYRDSBODQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-5-23-14(4)18(13(3)21-23)19(24)20-11-16-10-17(25-22-16)15-8-6-12(2)7-9-15/h6-10H,5,11H2,1-4H3,(H,20,24).
What are the key properties of 1-ethyl-3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]pyrazole-4-carboxamide?
1-ethyl-3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56862365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).