ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine)

C26H50N6 — CID 162282838

IUPACethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine)
SMILESC=C.C=C.CC.CC.CC(C)N1CCc2cn[nH]c2C1.CC(C)N1CCc2cn[nH]c2C1
InChIInChI=1S/2C9H15N3.2C2H6.2C2H4/c2*1-7(2)12-4-3-8-5-10-11-9(8)6-12;4*1-2/h2*5,7H,3-4,6H2,1-2H3,(H,10,11);2*1-2H3;2*1-2H2
InChIKeyJYLOSUHTKVUTQY-UHFFFAOYSA-N
MW446.73 g/mol
LogP6.01
Rot. Bonds2

About ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine)

ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine) (PubChem CID 162282838) has the molecular formula C26H50N6 and a molecular weight of 446.73 g/mol. Its IUPAC name is ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine).

Molecular Properties

Compound Nameethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine)
PubChem CID162282838
Molecular FormulaC26H50N6
Molecular Weight446.73 g/mol
Exact Mass446.41
IUPAC Nameethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine)
SMILESC=C.C=C.CC.CC.CC(C)N1CCc2cn[nH]c2C1.CC(C)N1CCc2cn[nH]c2C1
InChIInChI=1S/2C9H15N3.2C2H6.2C2H4/c2*1-7(2)12-4-3-8-5-10-11-9(8)6-12;4*1-2/h2*5,7H,3-4,6H2,1-2H3,(H,10,11);2*1-2H3;2*1-2H2
InChIKeyJYLOSUHTKVUTQY-UHFFFAOYSA-N
XLogP6.01
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.73
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 21057906
6-(2-bromoprop-2-enyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 130734822
1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide
CID 130658981
2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)acetonitrile
CID 131084001
5-[1-(1-phenyltriazol-4-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 136520301
2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine
CID 164720435
12-propan-2-yl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
CID 23008413
5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine
CID 130728343
ethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 144959270
5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 110456721
5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane
CID 161037890
N-methyl-6-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 63549272

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine)?
The IUPAC name of ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine) (CID 162282838) is ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine).
What is the SMILES notation for ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine)?
The canonical SMILES for ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine) is C=C.C=C.CC.CC.CC(C)N1CCc2cn[nH]c2C1.CC(C)N1CCc2cn[nH]c2C1.
What is the InChIKey of ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine)?
The InChIKey is JYLOSUHTKVUTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H15N3.2C2H6.2C2H4/c2*1-7(2)12-4-3-8-5-10-11-9(8)6-12;4*1-2/h2*5,7H,3-4,6H2,1-2H3,(H,10,11);2*1-2H3;2*1-2H2.
What are the key properties of ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine)?
ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine) has a molecular weight of 446.73 g/mol, XLogP of 6.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine) is sourced from PubChem (CID 162282838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).