N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide

C17H28N8O2 — CID 72902891

IUPACN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
SMILESCCn1nc(C)c(C(C)NC(=O)Cn2nnnc2CN2CCOCC2)c1C
InChIInChI=1S/C17H28N8O2/c1-5-24-14(4)17(13(3)20-24)12(2)18-16(26)11-25-15(19-21-22-25)10-23-6-8-27-9-7-23/h12H,5-11H2,1-4H3,(H,18,26)
InChIKeyLNBJPTIAKVUETE-UHFFFAOYSA-N
MW376.47 g/mol
LogP0.22
Rot. Bonds7

About N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide

N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide (PubChem CID 72902891) has the molecular formula C17H28N8O2 and a molecular weight of 376.47 g/mol. Its IUPAC name is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
PubChem CID72902891
Molecular FormulaC17H28N8O2
Molecular Weight376.47 g/mol
Exact Mass376.23
IUPAC NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
SMILESCCn1nc(C)c(C(C)NC(=O)Cn2nnnc2CN2CCOCC2)c1C
InChIInChI=1S/C17H28N8O2/c1-5-24-14(4)17(13(3)20-24)12(2)18-16(26)11-25-15(19-21-22-25)10-23-6-8-27-9-7-23/h12H,5-11H2,1-4H3,(H,18,26)
InChIKeyLNBJPTIAKVUETE-UHFFFAOYSA-N
XLogP0.22
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide?
The IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide (CID 72902891) is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide?
The canonical SMILES for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide is CCn1nc(C)c(C(C)NC(=O)Cn2nnnc2CN2CCOCC2)c1C.
What is the InChIKey of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide?
The InChIKey is LNBJPTIAKVUETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N8O2/c1-5-24-14(4)17(13(3)20-24)12(2)18-16(26)11-25-15(19-21-22-25)10-23-6-8-27-9-7-23/h12H,5-11H2,1-4H3,(H,18,26).
What are the key properties of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide?
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide has a molecular weight of 376.47 g/mol, XLogP of 0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide is sourced from PubChem (CID 72902891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).