3-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpyrazole-3,5-dicarboxamide

C19H22N6O3 — CID 119138871

IUPAC3-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpyrazole-3,5-dicarboxamide
SMILESCC(NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C19H22N6O3/c1-11(17-22-18(24-28-17)19(2,3)4)21-16(27)13-10-14(15(20)26)25(23-13)12-8-6-5-7-9-12/h5-11H,1-4H3,(H2,20,26)(H,21,27)
InChIKeyVXTUNDZBMTTYAF-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.14
Rot. Bonds5

About 3-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpyrazole-3,5-dicarboxamide

3-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpyrazole-3,5-dicarboxamide (PubChem CID 119138871) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpyrazole-3,5-dicarboxamide
PubChem CID119138871
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name3-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpyrazole-3,5-dicarboxamide
SMILESCC(NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C19H22N6O3/c1-11(17-22-18(24-28-17)19(2,3)4)21-16(27)13-10-14(15(20)26)25(23-13)12-8-6-5-7-9-12/h5-11H,1-4H3,(H2,20,26)(H,21,27)
InChIKeyVXTUNDZBMTTYAF-UHFFFAOYSA-N
XLogP2.14
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpyrazole-3,5-dicarboxamide (CID 119138871) is 3-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpyrazole-3,5-dicarboxamide is CC(NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)c1nc(C(C)(C)C)no1.
What is the InChIKey of 3-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpyrazole-3,5-dicarboxamide?
The InChIKey is VXTUNDZBMTTYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-11(17-22-18(24-28-17)19(2,3)4)21-16(27)13-10-14(15(20)26)25(23-13)12-8-6-5-7-9-12/h5-11H,1-4H3,(H2,20,26)(H,21,27).
What are the key properties of 3-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpyrazole-3,5-dicarboxamide?
3-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpyrazole-3,5-dicarboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 119138871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).