2-cyclobutyl-N-[1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide

C20H22N6O2 — CID 175204663

IUPAC2-cyclobutyl-N-[1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccnn1C1CCC1)c1nc(-c2ccnc(C3CC3)c2)no1
InChIInChI=1S/C20H22N6O2/c1-12(23-19(27)17-8-10-22-26(17)15-3-2-4-15)20-24-18(25-28-20)14-7-9-21-16(11-14)13-5-6-13/h7-13,15H,2-6H2,1H3,(H,23,27)
InChIKeyVZIGPMMNNBVOEJ-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.42
Rot. Bonds6

About 2-cyclobutyl-N-[1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide

2-cyclobutyl-N-[1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide (PubChem CID 175204663) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-cyclobutyl-N-[1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide
PubChem CID175204663
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-cyclobutyl-N-[1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccnn1C1CCC1)c1nc(-c2ccnc(C3CC3)c2)no1
InChIInChI=1S/C20H22N6O2/c1-12(23-19(27)17-8-10-22-26(17)15-3-2-4-15)20-24-18(25-28-20)14-7-9-21-16(11-14)13-5-6-13/h7-13,15H,2-6H2,1H3,(H,23,27)
InChIKeyVZIGPMMNNBVOEJ-UHFFFAOYSA-N
XLogP3.42
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-cyclobutyl-N-[1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide (CID 175204663) is 2-cyclobutyl-N-[1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-[1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-[1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide is CC(NC(=O)c1ccnn1C1CCC1)c1nc(-c2ccnc(C3CC3)c2)no1.
What is the InChIKey of 2-cyclobutyl-N-[1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide?
The InChIKey is VZIGPMMNNBVOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-12(23-19(27)17-8-10-22-26(17)15-3-2-4-15)20-24-18(25-28-20)14-7-9-21-16(11-14)13-5-6-13/h7-13,15H,2-6H2,1H3,(H,23,27).
What are the key properties of 2-cyclobutyl-N-[1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide?
2-cyclobutyl-N-[1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 175204663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).