3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

C17H20N6O2 — CID 118777853

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCc1[nH]nc(CCC(=O)NC(C)c2nc(-c3ccncc3)no2)c1C
InChIInChI=1S/C17H20N6O2/c1-10-11(2)21-22-14(10)4-5-15(24)19-12(3)17-20-16(23-25-17)13-6-8-18-9-7-13/h6-9,12H,4-5H2,1-3H3,(H,19,24)(H,21,22)
InChIKeyLUKMODCJERSOOL-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.28
Rot. Bonds6

About 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 118777853) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID118777853
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCc1[nH]nc(CCC(=O)NC(C)c2nc(-c3ccncc3)no2)c1C
InChIInChI=1S/C17H20N6O2/c1-10-11(2)21-22-14(10)4-5-15(24)19-12(3)17-20-16(23-25-17)13-6-8-18-9-7-13/h6-9,12H,4-5H2,1-3H3,(H,19,24)(H,21,22)
InChIKeyLUKMODCJERSOOL-UHFFFAOYSA-N
XLogP2.28
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101346
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide
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N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 91843379
N-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
CID 124757267
N-(3-methylbutan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43042868
(2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119369964
2-(2,4-dioxoimidazolidin-1-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 77088867
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 7449596
3-phenyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 93072769
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 52528410
N-[1-(2-bromophenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55498576
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 99931132

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 118777853) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is Cc1[nH]nc(CCC(=O)NC(C)c2nc(-c3ccncc3)no2)c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is LUKMODCJERSOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10-11(2)21-22-14(10)4-5-15(24)19-12(3)17-20-16(23-25-17)13-6-8-18-9-7-13/h6-9,12H,4-5H2,1-3H3,(H,19,24)(H,21,22).
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 340.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 118777853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).