5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine

C14H16N4O — CID 84742295

IUPAC5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
SMILESCOc1ccc2c(c1)c(-c1cc(N)n[nH]1)c(C)n2C
InChIInChI=1S/C14H16N4O/c1-8-14(11-7-13(15)17-16-11)10-6-9(19-3)4-5-12(10)18(8)2/h4-7H,1-3H3,(H3,15,16,17)
InChIKeyHINULYUVJCXBSP-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.47
Rot. Bonds2

About 5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine

5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine (PubChem CID 84742295) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
PubChem CID84742295
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
SMILESCOc1ccc2c(c1)c(-c1cc(N)n[nH]1)c(C)n2C
InChIInChI=1S/C14H16N4O/c1-8-14(11-7-13(15)17-16-11)10-6-9(19-3)4-5-12(10)18(8)2/h4-7H,1-3H3,(H3,15,16,17)
InChIKeyHINULYUVJCXBSP-UHFFFAOYSA-N
XLogP2.47
TPSA68.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine (CID 84742295) is 5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine is COc1ccc2c(c1)c(-c1cc(N)n[nH]1)c(C)n2C.
What is the InChIKey of 5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine?
The InChIKey is HINULYUVJCXBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-8-14(11-7-13(15)17-16-11)10-6-9(19-3)4-5-12(10)18(8)2/h4-7H,1-3H3,(H3,15,16,17).
What are the key properties of 5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine?
5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine has a molecular weight of 256.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 84742295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).