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

C21H24N6O3 — CID 71288491

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)NC(C)(C)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C21H24N6O3/c1-21(2,12-16-23-18(25-30-16)14-8-5-4-6-9-14)24-19(28)17-15(13-22-26(17)3)20(29)27-10-7-11-27/h4-6,8-9,13H,7,10-12H2,1-3H3,(H,24,28)
InChIKeyNTQFSJQOPCSMFB-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.07
Rot. Bonds6

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

4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazole-5-carboxamide (PubChem CID 71288491) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazole-5-carboxamide
PubChem CID71288491
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)NC(C)(C)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C21H24N6O3/c1-21(2,12-16-23-18(25-30-16)14-8-5-4-6-9-14)24-19(28)17-15(13-22-26(17)3)20(29)27-10-7-11-27/h4-6,8-9,13H,7,10-12H2,1-3H3,(H,24,28)
InChIKeyNTQFSJQOPCSMFB-UHFFFAOYSA-N
XLogP2.07
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.07
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-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazole-5-carboxamide (CID 71288491) is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)NC(C)(C)Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazole-5-carboxamide?
The InChIKey is NTQFSJQOPCSMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-21(2,12-16-23-18(25-30-16)14-8-5-4-6-9-14)24-19(28)17-15(13-22-26(17)3)20(29)27-10-7-11-27/h4-6,8-9,13H,7,10-12H2,1-3H3,(H,24,28).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazole-5-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.07, 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-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 71288491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).