2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol

C14H16N4O — CID 110924581

IUPAC2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol
SMILESOCCn1cc(NCc2cccc3[nH]ccc23)cn1
InChIInChI=1S/C14H16N4O/c19-7-6-18-10-12(9-17-18)16-8-11-2-1-3-14-13(11)4-5-15-14/h1-5,9-10,15-16,19H,6-8H2
InChIKeyJHAFYQCIQWUPTB-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.97
Rot. Bonds5

About 2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol

2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol (PubChem CID 110924581) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol
PubChem CID110924581
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol
SMILESOCCn1cc(NCc2cccc3[nH]ccc23)cn1
InChIInChI=1S/C14H16N4O/c19-7-6-18-10-12(9-17-18)16-8-11-2-1-3-14-13(11)4-5-15-14/h1-5,9-10,15-16,19H,6-8H2
InChIKeyJHAFYQCIQWUPTB-UHFFFAOYSA-N
XLogP1.97
TPSA65.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol (CID 110924581) is 2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol is OCCn1cc(NCc2cccc3[nH]ccc23)cn1.
What is the InChIKey of 2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol?
The InChIKey is JHAFYQCIQWUPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-7-6-18-10-12(9-17-18)16-8-11-2-1-3-14-13(11)4-5-15-14/h1-5,9-10,15-16,19H,6-8H2.
What are the key properties of 2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol?
2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol has a molecular weight of 256.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-4-ylmethylamino)pyrazol-1-yl]ethanol is sourced from PubChem (CID 110924581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).