2-[5-[2-amino-1-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol

C17H21ClN4O — CID 83987645

IUPAC2-[5-[2-amino-1-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol
SMILESCc1cc(C(CN)c2cn(C)c3cc(Cl)ccc23)n(CCO)n1
InChIInChI=1S/C17H21ClN4O/c1-11-7-17(22(20-11)5-6-23)14(9-19)15-10-21(2)16-8-12(18)3-4-13(15)16/h3-4,7-8,10,14,23H,5-6,9,19H2,1-2H3
InChIKeyPAQWWDMYLMAOOD-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.42
Rot. Bonds5

About 2-[5-[2-amino-1-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol

2-[5-[2-amino-1-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol (PubChem CID 83987645) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 2-[5-[2-amino-1-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-amino-1-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol
PubChem CID83987645
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name2-[5-[2-amino-1-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol
SMILESCc1cc(C(CN)c2cn(C)c3cc(Cl)ccc23)n(CCO)n1
InChIInChI=1S/C17H21ClN4O/c1-11-7-17(22(20-11)5-6-23)14(9-19)15-10-21(2)16-8-12(18)3-4-13(15)16/h3-4,7-8,10,14,23H,5-6,9,19H2,1-2H3
InChIKeyPAQWWDMYLMAOOD-UHFFFAOYSA-N
XLogP2.42
TPSA69.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.42
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-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[2-amino-1-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol (CID 83987645) is 2-[5-[2-amino-1-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[2-amino-1-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[2-amino-1-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol is Cc1cc(C(CN)c2cn(C)c3cc(Cl)ccc23)n(CCO)n1.
What is the InChIKey of 2-[5-[2-amino-1-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol?
The InChIKey is PAQWWDMYLMAOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-11-7-17(22(20-11)5-6-23)14(9-19)15-10-21(2)16-8-12(18)3-4-13(15)16/h3-4,7-8,10,14,23H,5-6,9,19H2,1-2H3.
What are the key properties of 2-[5-[2-amino-1-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol?
2-[5-[2-amino-1-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol has a molecular weight of 332.84 g/mol, XLogP of 2.42, 5 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-(6-chloro-1-methylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol is sourced from PubChem (CID 83987645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).