cyclobutane;1,2-dimethyl-5-propylpyrrolidine;1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane

C23H43N5 — CID 178177385

IUPACcyclobutane;1,2-dimethyl-5-propylpyrrolidine;1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane
SMILESC1CCC1.CC.CCCC1CCC(C)N1C.Cc1nn(C)c2ccnc(N)c12
InChIInChI=1S/C9H19N.C8H10N4.C4H8.C2H6/c1-4-5-9-7-6-8(2)10(9)3;1-5-7-6(12(2)11-5)3-4-10-8(7)9;1-2-4-3-1;1-2/h8-9H,4-7H2,1-3H3;3-4H,1-2H3,(H2,9,10);1-4H2;1-2H3
InChIKeyQRCCWLLJUIHIDD-UHFFFAOYSA-N
MW389.63 g/mol
LogP5.71
Rot. Bonds2

About cyclobutane;1,2-dimethyl-5-propylpyrrolidine;1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane

cyclobutane;1,2-dimethyl-5-propylpyrrolidine;1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane (PubChem CID 178177385) has the molecular formula C23H43N5 and a molecular weight of 389.63 g/mol. Its IUPAC name is cyclobutane;1,2-dimethyl-5-propylpyrrolidine;1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane.

Molecular Properties

Compound Namecyclobutane;1,2-dimethyl-5-propylpyrrolidine;1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane
PubChem CID178177385
Molecular FormulaC23H43N5
Molecular Weight389.63 g/mol
Exact Mass389.35
IUPAC Namecyclobutane;1,2-dimethyl-5-propylpyrrolidine;1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane
SMILESC1CCC1.CC.CCCC1CCC(C)N1C.Cc1nn(C)c2ccnc(N)c12
InChIInChI=1S/C9H19N.C8H10N4.C4H8.C2H6/c1-4-5-9-7-6-8(2)10(9)3;1-5-7-6(12(2)11-5)3-4-10-8(7)9;1-2-4-3-1;1-2/h8-9H,4-7H2,1-3H3;3-4H,1-2H3,(H2,9,10);1-4H2;1-2H3
InChIKeyQRCCWLLJUIHIDD-UHFFFAOYSA-N
XLogP5.71
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.63
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclobutane;1,2-dimethyl-5-propylpyrrolidine;1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane?
The IUPAC name of cyclobutane;1,2-dimethyl-5-propylpyrrolidine;1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane (CID 178177385) is cyclobutane;1,2-dimethyl-5-propylpyrrolidine;1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane.
What is the SMILES notation for cyclobutane;1,2-dimethyl-5-propylpyrrolidine;1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane?
The canonical SMILES for cyclobutane;1,2-dimethyl-5-propylpyrrolidine;1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane is C1CCC1.CC.CCCC1CCC(C)N1C.Cc1nn(C)c2ccnc(N)c12.
What is the InChIKey of cyclobutane;1,2-dimethyl-5-propylpyrrolidine;1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane?
The InChIKey is QRCCWLLJUIHIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H10N4.C4H8.C2H6/c1-4-5-9-7-6-8(2)10(9)3;1-5-7-6(12(2)11-5)3-4-10-8(7)9;1-2-4-3-1;1-2/h8-9H,4-7H2,1-3H3;3-4H,1-2H3,(H2,9,10);1-4H2;1-2H3.
What are the key properties of cyclobutane;1,2-dimethyl-5-propylpyrrolidine;1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane?
cyclobutane;1,2-dimethyl-5-propylpyrrolidine;1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane has a molecular weight of 389.63 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;1,2-dimethyl-5-propylpyrrolidine;1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane is sourced from PubChem (CID 178177385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).