1,3,5-trimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyrazole-4-carboxamide

C18H28N6O2 — CID 120865350

IUPAC1,3,5-trimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyrazole-4-carboxamide
SMILESCNC(C)Cc1noc(C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)n1
InChIInChI=1S/C18H28N6O2/c1-11(19-4)10-14-20-17(26-23-14)18(8-6-7-9-18)21-16(25)15-12(2)22-24(5)13(15)3/h11,19H,6-10H2,1-5H3,(H,21,25)
InChIKeyXGFITOJAZUAIBI-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.77
Rot. Bonds6

About 1,3,5-trimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyrazole-4-carboxamide

1,3,5-trimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyrazole-4-carboxamide (PubChem CID 120865350) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyrazole-4-carboxamide
PubChem CID120865350
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name1,3,5-trimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyrazole-4-carboxamide
SMILESCNC(C)Cc1noc(C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)n1
InChIInChI=1S/C18H28N6O2/c1-11(19-4)10-14-20-17(26-23-14)18(8-6-7-9-18)21-16(25)15-12(2)22-24(5)13(15)3/h11,19H,6-10H2,1-5H3,(H,21,25)
InChIKeyXGFITOJAZUAIBI-UHFFFAOYSA-N
XLogP1.77
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyrazole-4-carboxamide (CID 120865350) is 1,3,5-trimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyrazole-4-carboxamide is CNC(C)Cc1noc(C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)n1.
What is the InChIKey of 1,3,5-trimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyrazole-4-carboxamide?
The InChIKey is XGFITOJAZUAIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-11(19-4)10-14-20-17(26-23-14)18(8-6-7-9-18)21-16(25)15-12(2)22-24(5)13(15)3/h11,19H,6-10H2,1-5H3,(H,21,25).
What are the key properties of 1,3,5-trimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyrazole-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]pyrazole-4-carboxamide is sourced from PubChem (CID 120865350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).