2-[3-propan-2-yl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine

C18H26N4 — CID 82592886

IUPAC2-[3-propan-2-yl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
SMILESCC(C)c1nn(Cc2ccncc2)c2c1C(CCN)CCC2
InChIInChI=1S/C18H26N4/c1-13(2)18-17-15(6-9-19)4-3-5-16(17)22(21-18)12-14-7-10-20-11-8-14/h7-8,10-11,13,15H,3-6,9,12,19H2,1-2H3
InChIKeyZKMSXXMMRJDOHH-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.22
Rot. Bonds5

About 2-[3-propan-2-yl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine

2-[3-propan-2-yl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine (PubChem CID 82592886) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[3-propan-2-yl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-propan-2-yl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
PubChem CID82592886
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name2-[3-propan-2-yl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
SMILESCC(C)c1nn(Cc2ccncc2)c2c1C(CCN)CCC2
InChIInChI=1S/C18H26N4/c1-13(2)18-17-15(6-9-19)4-3-5-16(17)22(21-18)12-14-7-10-20-11-8-14/h7-8,10-11,13,15H,3-6,9,12,19H2,1-2H3
InChIKeyZKMSXXMMRJDOHH-UHFFFAOYSA-N
XLogP3.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-propan-2-yl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine?
The IUPAC name of 2-[3-propan-2-yl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine (CID 82592886) is 2-[3-propan-2-yl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-propan-2-yl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-propan-2-yl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine is CC(C)c1nn(Cc2ccncc2)c2c1C(CCN)CCC2.
What is the InChIKey of 2-[3-propan-2-yl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine?
The InChIKey is ZKMSXXMMRJDOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-13(2)18-17-15(6-9-19)4-3-5-16(17)22(21-18)12-14-7-10-20-11-8-14/h7-8,10-11,13,15H,3-6,9,12,19H2,1-2H3.
What are the key properties of 2-[3-propan-2-yl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine?
2-[3-propan-2-yl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine has a molecular weight of 298.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-propan-2-yl-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine is sourced from PubChem (CID 82592886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).