4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide

C19H20N6O3 — CID 71288553

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C19H20N6O3/c1-24-16(14(12-21-24)19(27)25-10-5-11-25)18(26)20-9-8-15-22-17(23-28-15)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3,(H,20,26)
InChIKeyJBNVUPZXIUSIFD-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.29
Rot. Bonds6

About 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 71288553) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide
PubChem CID71288553
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C19H20N6O3/c1-24-16(14(12-21-24)19(27)25-10-5-11-25)18(26)20-9-8-15-22-17(23-28-15)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3,(H,20,26)
InChIKeyJBNVUPZXIUSIFD-UHFFFAOYSA-N
XLogP1.29
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide (CID 71288553) is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)no1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is JBNVUPZXIUSIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-24-16(14(12-21-24)19(27)25-10-5-11-25)18(26)20-9-8-15-22-17(23-28-15)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3,(H,20,26).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71288553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).