N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-ethyloxane-3-carboxamide

C15H22N4O2 — CID 128995921

IUPACN-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-ethyloxane-3-carboxamide
SMILESCCC1OCCCC1C(=O)Nc1cc(C)n(CCC#N)n1
InChIInChI=1S/C15H22N4O2/c1-3-13-12(6-4-9-21-13)15(20)17-14-10-11(2)19(18-14)8-5-7-16/h10,12-13H,3-6,8-9H2,1-2H3,(H,17,18,20)
InChIKeyXVSQMRWITYQFJS-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.25
Rot. Bonds5

About N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-ethyloxane-3-carboxamide

N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-ethyloxane-3-carboxamide (PubChem CID 128995921) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-ethyloxane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-ethyloxane-3-carboxamide
PubChem CID128995921
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-ethyloxane-3-carboxamide
SMILESCCC1OCCCC1C(=O)Nc1cc(C)n(CCC#N)n1
InChIInChI=1S/C15H22N4O2/c1-3-13-12(6-4-9-21-13)15(20)17-14-10-11(2)19(18-14)8-5-7-16/h10,12-13H,3-6,8-9H2,1-2H3,(H,17,18,20)
InChIKeyXVSQMRWITYQFJS-UHFFFAOYSA-N
XLogP2.25
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-ethyloxane-3-carboxamide?
The IUPAC name of N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-ethyloxane-3-carboxamide (CID 128995921) is N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-ethyloxane-3-carboxamide.
What is the SMILES notation for N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-ethyloxane-3-carboxamide?
The canonical SMILES for N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-ethyloxane-3-carboxamide is CCC1OCCCC1C(=O)Nc1cc(C)n(CCC#N)n1.
What is the InChIKey of N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-ethyloxane-3-carboxamide?
The InChIKey is XVSQMRWITYQFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-13-12(6-4-9-21-13)15(20)17-14-10-11(2)19(18-14)8-5-7-16/h10,12-13H,3-6,8-9H2,1-2H3,(H,17,18,20).
What are the key properties of N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-ethyloxane-3-carboxamide?
N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-ethyloxane-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-ethyloxane-3-carboxamide is sourced from PubChem (CID 128995921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).