2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]hexanamide

C17H30N4O2 — CID 71928656

IUPAC2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]hexanamide
SMILESCCCCC(NCC1CCOC1c1c(C)nn(C)c1C)C(N)=O
InChIInChI=1S/C17H30N4O2/c1-5-6-7-14(17(18)22)19-10-13-8-9-23-16(13)15-11(2)20-21(4)12(15)3/h13-14,16,19H,5-10H2,1-4H3,(H2,18,22)
InChIKeyGMQQHVHJCLZYMM-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.75
Rot. Bonds8

About 2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]hexanamide

2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]hexanamide (PubChem CID 71928656) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]hexanamide.

Molecular Properties

Compound Name2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]hexanamide
PubChem CID71928656
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]hexanamide
SMILESCCCCC(NCC1CCOC1c1c(C)nn(C)c1C)C(N)=O
InChIInChI=1S/C17H30N4O2/c1-5-6-7-14(17(18)22)19-10-13-8-9-23-16(13)15-11(2)20-21(4)12(15)3/h13-14,16,19H,5-10H2,1-4H3,(H2,18,22)
InChIKeyGMQQHVHJCLZYMM-UHFFFAOYSA-N
XLogP1.75
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]hexanamide?
The IUPAC name of 2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]hexanamide (CID 71928656) is 2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]hexanamide.
What is the SMILES notation for 2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]hexanamide?
The canonical SMILES for 2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]hexanamide is CCCCC(NCC1CCOC1c1c(C)nn(C)c1C)C(N)=O.
What is the InChIKey of 2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]hexanamide?
The InChIKey is GMQQHVHJCLZYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-5-6-7-14(17(18)22)19-10-13-8-9-23-16(13)15-11(2)20-21(4)12(15)3/h13-14,16,19H,5-10H2,1-4H3,(H2,18,22).
What are the key properties of 2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]hexanamide?
2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]hexanamide has a molecular weight of 322.45 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]hexanamide is sourced from PubChem (CID 71928656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).