[5-[2-(4-hydroxyphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

C24H34N4O2 — CID 146641795

IUPAC[5-[2-(4-hydroxyphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESCCCn1nc(C(=O)N2CCCCC2)c2c1CCC(NCCc1ccc(O)cc1)C2
InChIInChI=1S/C24H34N4O2/c1-2-14-28-22-11-8-19(25-13-12-18-6-9-20(29)10-7-18)17-21(22)23(26-28)24(30)27-15-4-3-5-16-27/h6-7,9-10,19,25,29H,2-5,8,11-17H2,1H3
InChIKeyUKYZNTYQGUYLPN-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.31
Rot. Bonds7

About [5-[2-(4-hydroxyphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

[5-[2-(4-hydroxyphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 146641795) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is [5-[2-(4-hydroxyphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[2-(4-hydroxyphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
PubChem CID146641795
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name[5-[2-(4-hydroxyphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESCCCn1nc(C(=O)N2CCCCC2)c2c1CCC(NCCc1ccc(O)cc1)C2
InChIInChI=1S/C24H34N4O2/c1-2-14-28-22-11-8-19(25-13-12-18-6-9-20(29)10-7-18)17-21(22)23(26-28)24(30)27-15-4-3-5-16-27/h6-7,9-10,19,25,29H,2-5,8,11-17H2,1H3
InChIKeyUKYZNTYQGUYLPN-UHFFFAOYSA-N
XLogP3.31
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-hydroxyphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[2-(4-hydroxyphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (CID 146641795) is [5-[2-(4-hydroxyphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[2-(4-hydroxyphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[2-(4-hydroxyphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is CCCn1nc(C(=O)N2CCCCC2)c2c1CCC(NCCc1ccc(O)cc1)C2.
What is the InChIKey of [5-[2-(4-hydroxyphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is UKYZNTYQGUYLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-2-14-28-22-11-8-19(25-13-12-18-6-9-20(29)10-7-18)17-21(22)23(26-28)24(30)27-15-4-3-5-16-27/h6-7,9-10,19,25,29H,2-5,8,11-17H2,1H3.
What are the key properties of [5-[2-(4-hydroxyphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
[5-[2-(4-hydroxyphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 410.56 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-hydroxyphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 146641795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).