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

C14H15N3O — CID 166849185

IUPAC2-[4-(4-methyl-1H-indol-2-yl)pyrazol-1-yl]ethanol
SMILESCc1cccc2[nH]c(-c3cnn(CCO)c3)cc12
InChIInChI=1S/C14H15N3O/c1-10-3-2-4-13-12(10)7-14(16-13)11-8-15-17(9-11)5-6-18/h2-4,7-9,16,18H,5-6H2,1H3
InChIKeyNVULMKQDJHMYQG-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.33
Rot. Bonds3

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

2-[4-(4-methyl-1H-indol-2-yl)pyrazol-1-yl]ethanol (PubChem CID 166849185) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[4-(4-methyl-1H-indol-2-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-methyl-1H-indol-2-yl)pyrazol-1-yl]ethanol
PubChem CID166849185
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-[4-(4-methyl-1H-indol-2-yl)pyrazol-1-yl]ethanol
SMILESCc1cccc2[nH]c(-c3cnn(CCO)c3)cc12
InChIInChI=1S/C14H15N3O/c1-10-3-2-4-13-12(10)7-14(16-13)11-8-15-17(9-11)5-6-18/h2-4,7-9,16,18H,5-6H2,1H3
InChIKeyNVULMKQDJHMYQG-UHFFFAOYSA-N
XLogP2.33
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-1H-indol-2-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-(4-methyl-1H-indol-2-yl)pyrazol-1-yl]ethanol (CID 166849185) is 2-[4-(4-methyl-1H-indol-2-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-methyl-1H-indol-2-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-methyl-1H-indol-2-yl)pyrazol-1-yl]ethanol is Cc1cccc2[nH]c(-c3cnn(CCO)c3)cc12.
What is the InChIKey of 2-[4-(4-methyl-1H-indol-2-yl)pyrazol-1-yl]ethanol?
The InChIKey is NVULMKQDJHMYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-3-2-4-13-12(10)7-14(16-13)11-8-15-17(9-11)5-6-18/h2-4,7-9,16,18H,5-6H2,1H3.
What are the key properties of 2-[4-(4-methyl-1H-indol-2-yl)pyrazol-1-yl]ethanol?
2-[4-(4-methyl-1H-indol-2-yl)pyrazol-1-yl]ethanol has a molecular weight of 241.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-1H-indol-2-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 166849185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).