2-pyrazol-1-ylethyl 2-(3-methylindol-1-yl)acetate

C16H17N3O2 — CID 71881223

IUPAC2-pyrazol-1-ylethyl 2-(3-methylindol-1-yl)acetate
SMILESCc1cn(CC(=O)OCCn2cccn2)c2ccccc12
InChIInChI=1S/C16H17N3O2/c1-13-11-18(15-6-3-2-5-14(13)15)12-16(20)21-10-9-19-8-4-7-17-19/h2-8,11H,9-10,12H2,1H3
InChIKeyYEWZUDGUKBCOST-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.39
Rot. Bonds5

About 2-pyrazol-1-ylethyl 2-(3-methylindol-1-yl)acetate

2-pyrazol-1-ylethyl 2-(3-methylindol-1-yl)acetate (PubChem CID 71881223) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-pyrazol-1-ylethyl 2-(3-methylindol-1-yl)acetate.

Molecular Properties

Compound Name2-pyrazol-1-ylethyl 2-(3-methylindol-1-yl)acetate
PubChem CID71881223
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-pyrazol-1-ylethyl 2-(3-methylindol-1-yl)acetate
SMILESCc1cn(CC(=O)OCCn2cccn2)c2ccccc12
InChIInChI=1S/C16H17N3O2/c1-13-11-18(15-6-3-2-5-14(13)15)12-16(20)21-10-9-19-8-4-7-17-19/h2-8,11H,9-10,12H2,1H3
InChIKeyYEWZUDGUKBCOST-UHFFFAOYSA-N
XLogP2.39
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylethyl 2-(3-methylindol-1-yl)acetate?
The IUPAC name of 2-pyrazol-1-ylethyl 2-(3-methylindol-1-yl)acetate (CID 71881223) is 2-pyrazol-1-ylethyl 2-(3-methylindol-1-yl)acetate.
What is the SMILES notation for 2-pyrazol-1-ylethyl 2-(3-methylindol-1-yl)acetate?
The canonical SMILES for 2-pyrazol-1-ylethyl 2-(3-methylindol-1-yl)acetate is Cc1cn(CC(=O)OCCn2cccn2)c2ccccc12.
What is the InChIKey of 2-pyrazol-1-ylethyl 2-(3-methylindol-1-yl)acetate?
The InChIKey is YEWZUDGUKBCOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-13-11-18(15-6-3-2-5-14(13)15)12-16(20)21-10-9-19-8-4-7-17-19/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 2-pyrazol-1-ylethyl 2-(3-methylindol-1-yl)acetate?
2-pyrazol-1-ylethyl 2-(3-methylindol-1-yl)acetate has a molecular weight of 283.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylethyl 2-(3-methylindol-1-yl)acetate is sourced from PubChem (CID 71881223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).