N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)acetamide

C18H29N7O2 — CID 56712188

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)acetamide
SMILESCCn1nc(C)c(NC(=O)Cn2nc(C3CCCNC3)n(CC)c2=O)c1C
InChIInChI=1S/C18H29N7O2/c1-5-23-17(14-8-7-9-19-10-14)22-25(18(23)27)11-15(26)20-16-12(3)21-24(6-2)13(16)4/h14,19H,5-11H2,1-4H3,(H,20,26)
InChIKeyCMZDKEMAHYALDY-UHFFFAOYSA-N
MW375.48 g/mol
LogP1.00
Rot. Bonds6

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)acetamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)acetamide (PubChem CID 56712188) has the molecular formula C18H29N7O2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)acetamide
PubChem CID56712188
Molecular FormulaC18H29N7O2
Molecular Weight375.48 g/mol
Exact Mass375.24
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)acetamide
SMILESCCn1nc(C)c(NC(=O)Cn2nc(C3CCCNC3)n(CC)c2=O)c1C
InChIInChI=1S/C18H29N7O2/c1-5-23-17(14-8-7-9-19-10-14)22-25(18(23)27)11-15(26)20-16-12(3)21-24(6-2)13(16)4/h14,19H,5-11H2,1-4H3,(H,20,26)
InChIKeyCMZDKEMAHYALDY-UHFFFAOYSA-N
XLogP1.00
TPSA98.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)acetamide (CID 56712188) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)acetamide is CCn1nc(C)c(NC(=O)Cn2nc(C3CCCNC3)n(CC)c2=O)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)acetamide?
The InChIKey is CMZDKEMAHYALDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O2/c1-5-23-17(14-8-7-9-19-10-14)22-25(18(23)27)11-15(26)20-16-12(3)21-24(6-2)13(16)4/h14,19H,5-11H2,1-4H3,(H,20,26).
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)acetamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)acetamide has a molecular weight of 375.48 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-ethyl-5-oxo-3-piperidin-3-yl-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 56712188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).