1-[4-(5,7-dimethoxy-1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone

C15H17N3O3 — CID 25000068

IUPAC1-[4-(5,7-dimethoxy-1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1cc(OC)c2[nH]cc(C3C=NN(C(C)=O)C3)c2c1
InChIInChI=1S/C15H17N3O3/c1-9(19)18-8-10(6-17-18)13-7-16-15-12(13)4-11(20-2)5-14(15)21-3/h4-7,10,16H,8H2,1-3H3
InChIKeyWEFRXGDLLCQQDU-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.12
Rot. Bonds3

About 1-[4-(5,7-dimethoxy-1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone

1-[4-(5,7-dimethoxy-1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 25000068) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[4-(5,7-dimethoxy-1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5,7-dimethoxy-1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID25000068
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[4-(5,7-dimethoxy-1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1cc(OC)c2[nH]cc(C3C=NN(C(C)=O)C3)c2c1
InChIInChI=1S/C15H17N3O3/c1-9(19)18-8-10(6-17-18)13-7-16-15-12(13)4-11(20-2)5-14(15)21-3/h4-7,10,16H,8H2,1-3H3
InChIKeyWEFRXGDLLCQQDU-UHFFFAOYSA-N
XLogP2.12
TPSA66.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,7-dimethoxy-1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[4-(5,7-dimethoxy-1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone (CID 25000068) is 1-[4-(5,7-dimethoxy-1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(5,7-dimethoxy-1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(5,7-dimethoxy-1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone is COc1cc(OC)c2[nH]cc(C3C=NN(C(C)=O)C3)c2c1.
What is the InChIKey of 1-[4-(5,7-dimethoxy-1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is WEFRXGDLLCQQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9(19)18-8-10(6-17-18)13-7-16-15-12(13)4-11(20-2)5-14(15)21-3/h4-7,10,16H,8H2,1-3H3.
What are the key properties of 1-[4-(5,7-dimethoxy-1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[4-(5,7-dimethoxy-1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 287.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,7-dimethoxy-1H-indol-3-yl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 25000068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).