2-[5-[2-amino-1-(1-ethylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol

C18H24N4O — CID 83987659

IUPAC2-[5-[2-amino-1-(1-ethylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol
SMILESCCn1cc(C(CN)c2cc(C)nn2CCO)c2ccccc21
InChIInChI=1S/C18H24N4O/c1-3-21-12-16(14-6-4-5-7-17(14)21)15(11-19)18-10-13(2)20-22(18)8-9-23/h4-7,10,12,15,23H,3,8-9,11,19H2,1-2H3
InChIKeyCSGGKXABVMBDBO-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.25
Rot. Bonds6

About 2-[5-[2-amino-1-(1-ethylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol

2-[5-[2-amino-1-(1-ethylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol (PubChem CID 83987659) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[5-[2-amino-1-(1-ethylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-amino-1-(1-ethylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol
PubChem CID83987659
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[5-[2-amino-1-(1-ethylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol
SMILESCCn1cc(C(CN)c2cc(C)nn2CCO)c2ccccc21
InChIInChI=1S/C18H24N4O/c1-3-21-12-16(14-6-4-5-7-17(14)21)15(11-19)18-10-13(2)20-22(18)8-9-23/h4-7,10,12,15,23H,3,8-9,11,19H2,1-2H3
InChIKeyCSGGKXABVMBDBO-UHFFFAOYSA-N
XLogP2.25
TPSA69.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-amino-1-(1-ethylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[2-amino-1-(1-ethylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol (CID 83987659) is 2-[5-[2-amino-1-(1-ethylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[2-amino-1-(1-ethylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[2-amino-1-(1-ethylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol is CCn1cc(C(CN)c2cc(C)nn2CCO)c2ccccc21.
What is the InChIKey of 2-[5-[2-amino-1-(1-ethylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol?
The InChIKey is CSGGKXABVMBDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-21-12-16(14-6-4-5-7-17(14)21)15(11-19)18-10-13(2)20-22(18)8-9-23/h4-7,10,12,15,23H,3,8-9,11,19H2,1-2H3.
What are the key properties of 2-[5-[2-amino-1-(1-ethylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol?
2-[5-[2-amino-1-(1-ethylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol has a molecular weight of 312.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-amino-1-(1-ethylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol is sourced from PubChem (CID 83987659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).