3-(1-ethyl-3-methylpyrazol-4-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H22N6O2 — CID 3238818

IUPAC3-(1-ethyl-3-methylpyrazol-4-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)c(C)n1
InChIInChI=1S/C20H22N6O2/c1-4-25-12-16(14(3)23-25)17-11-18(28-24-17)20(27)21-19-10-13(2)22-26(19)15-8-6-5-7-9-15/h5-10,12,18H,4,11H2,1-3H3,(H,21,27)
InChIKeyUYIDJKQTKALBFC-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.84
Rot. Bonds5

About 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(1-ethyl-3-methylpyrazol-4-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3238818) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-ethyl-3-methylpyrazol-4-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3238818
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name3-(1-ethyl-3-methylpyrazol-4-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)c(C)n1
InChIInChI=1S/C20H22N6O2/c1-4-25-12-16(14(3)23-25)17-11-18(28-24-17)20(27)21-19-10-13(2)22-26(19)15-8-6-5-7-9-15/h5-10,12,18H,4,11H2,1-3H3,(H,21,27)
InChIKeyUYIDJKQTKALBFC-UHFFFAOYSA-N
XLogP2.84
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3238818) is 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1cc(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)c(C)n1.
What is the InChIKey of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is UYIDJKQTKALBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-4-25-12-16(14(3)23-25)17-11-18(28-24-17)20(27)21-19-10-13(2)22-26(19)15-8-6-5-7-9-15/h5-10,12,18H,4,11H2,1-3H3,(H,21,27).
What are the key properties of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(1-ethyl-3-methylpyrazol-4-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3238818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).