N-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]-2-phenylpyrazole-3-carboxamide

C21H20N6O2 — CID 155271732

IUPACN-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]-2-phenylpyrazole-3-carboxamide
SMILESCCC(NC(=O)c1ccnn1-c1ccccc1)c1nc(-c2ccnc(C)c2)no1
InChIInChI=1S/C21H20N6O2/c1-3-17(21-25-19(26-29-21)15-9-11-22-14(2)13-15)24-20(28)18-10-12-23-27(18)16-7-5-4-6-8-16/h4-13,17H,3H2,1-2H3,(H,24,28)
InChIKeyKTKLVXKKAXXZKE-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.51
Rot. Bonds6

About N-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]-2-phenylpyrazole-3-carboxamide

N-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]-2-phenylpyrazole-3-carboxamide (PubChem CID 155271732) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]-2-phenylpyrazole-3-carboxamide
PubChem CID155271732
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]-2-phenylpyrazole-3-carboxamide
SMILESCCC(NC(=O)c1ccnn1-c1ccccc1)c1nc(-c2ccnc(C)c2)no1
InChIInChI=1S/C21H20N6O2/c1-3-17(21-25-19(26-29-21)15-9-11-22-14(2)13-15)24-20(28)18-10-12-23-27(18)16-7-5-4-6-8-16/h4-13,17H,3H2,1-2H3,(H,24,28)
InChIKeyKTKLVXKKAXXZKE-UHFFFAOYSA-N
XLogP3.51
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]propyl]carbamic acid
CID 155271973
3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1-methylpyrazole-5-carboxamide
CID 164846738
3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide
CID 167548571
N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]propyl]cyclohexanecarboxamide
CID 166519177
(2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107330211
1-benzyl-3-(trifluoromethyl)-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
CID 155272251
5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 95164209
N-[1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 169079675
N-[(1S)-1-[3-(4-acetylphenyl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide
CID 122581632
N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-4-(trifluoromethyl)benzamide
CID 93117435
N-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53043089
3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 125448468

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]-2-phenylpyrazole-3-carboxamide (CID 155271732) is N-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]-2-phenylpyrazole-3-carboxamide is CCC(NC(=O)c1ccnn1-c1ccccc1)c1nc(-c2ccnc(C)c2)no1.
What is the InChIKey of N-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]-2-phenylpyrazole-3-carboxamide?
The InChIKey is KTKLVXKKAXXZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-3-17(21-25-19(26-29-21)15-9-11-22-14(2)13-15)24-20(28)18-10-12-23-27(18)16-7-5-4-6-8-16/h4-13,17H,3H2,1-2H3,(H,24,28).
What are the key properties of N-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]-2-phenylpyrazole-3-carboxamide?
N-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]-2-phenylpyrazole-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propyl]-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 155271732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).