4-ethyl-2-methyl-5-[1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidin-4-yl]-1,2,4-triazol-3-one

C18H26N6O2 — CID 56741717

IUPAC4-ethyl-2-methyl-5-[1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(C(=O)C3(Cn4cccn4)CC3)CC2)nn(C)c1=O
InChIInChI=1S/C18H26N6O2/c1-3-24-15(20-21(2)17(24)26)14-5-11-22(12-6-14)16(25)18(7-8-18)13-23-10-4-9-19-23/h4,9-10,14H,3,5-8,11-13H2,1-2H3
InChIKeyOWSXAWSRZBQHIU-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.98
Rot. Bonds5

About 4-ethyl-2-methyl-5-[1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidin-4-yl]-1,2,4-triazol-3-one

4-ethyl-2-methyl-5-[1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 56741717) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID56741717
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name4-ethyl-2-methyl-5-[1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(C(=O)C3(Cn4cccn4)CC3)CC2)nn(C)c1=O
InChIInChI=1S/C18H26N6O2/c1-3-24-15(20-21(2)17(24)26)14-5-11-22(12-6-14)16(25)18(7-8-18)13-23-10-4-9-19-23/h4,9-10,14H,3,5-8,11-13H2,1-2H3
InChIKeyOWSXAWSRZBQHIU-UHFFFAOYSA-N
XLogP0.98
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethyl-2-(2-methoxyethyl)-5-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115281
4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56753977
N-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 56760663
4-ethyl-2-methyl-5-[1-(1-methylindazole-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56721319
[(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
CID 97127397
methyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate
CID 56701492
5-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 56700544
1-(4-methylphenyl)-4-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperazin-2-one
CID 70739627
4-ethyl-5-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 56754576
4-ethyl-2-methyl-5-[1-(5-propylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56710711
4-ethyl-2-methyl-5-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56717417
4-ethyl-5-[1-(2-hydroxy-5-pyrrol-1-ylbenzoyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 56719419

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-[1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-[1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidin-4-yl]-1,2,4-triazol-3-one (CID 56741717) is 4-ethyl-2-methyl-5-[1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-[1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-[1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidin-4-yl]-1,2,4-triazol-3-one is CCn1c(C2CCN(C(=O)C3(Cn4cccn4)CC3)CC2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-2-methyl-5-[1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is OWSXAWSRZBQHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-3-24-15(20-21(2)17(24)26)14-5-11-22(12-6-14)16(25)18(7-8-18)13-23-10-4-9-19-23/h4,9-10,14H,3,5-8,11-13H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-5-[1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidin-4-yl]-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-[1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 358.45 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-[1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56741717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).