3-(2,3,3a,7a-tetrahydro-1H-inden-2-yloxy)-1-methylpyrazol-4-amine

C13H17N3O — CID 90480997

IUPAC3-(2,3,3a,7a-tetrahydro-1H-inden-2-yloxy)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(OC2CC3C=CC=CC3C2)n1
InChIInChI=1S/C13H17N3O/c1-16-8-12(14)13(15-16)17-11-6-9-4-2-3-5-10(9)7-11/h2-5,8-11H,6-7,14H2,1H3
InChIKeyMUIRKOZMEFJYRD-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.90
Rot. Bonds2

About 3-(2,3,3a,7a-tetrahydro-1H-inden-2-yloxy)-1-methylpyrazol-4-amine

3-(2,3,3a,7a-tetrahydro-1H-inden-2-yloxy)-1-methylpyrazol-4-amine (PubChem CID 90480997) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(2,3,3a,7a-tetrahydro-1H-inden-2-yloxy)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(2,3,3a,7a-tetrahydro-1H-inden-2-yloxy)-1-methylpyrazol-4-amine
PubChem CID90480997
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(2,3,3a,7a-tetrahydro-1H-inden-2-yloxy)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(OC2CC3C=CC=CC3C2)n1
InChIInChI=1S/C13H17N3O/c1-16-8-12(14)13(15-16)17-11-6-9-4-2-3-5-10(9)7-11/h2-5,8-11H,6-7,14H2,1H3
InChIKeyMUIRKOZMEFJYRD-UHFFFAOYSA-N
XLogP1.90
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3a,7a-tetrahydro-1H-inden-2-yloxy)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(2,3,3a,7a-tetrahydro-1H-inden-2-yloxy)-1-methylpyrazol-4-amine (CID 90480997) is 3-(2,3,3a,7a-tetrahydro-1H-inden-2-yloxy)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(2,3,3a,7a-tetrahydro-1H-inden-2-yloxy)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(2,3,3a,7a-tetrahydro-1H-inden-2-yloxy)-1-methylpyrazol-4-amine is Cn1cc(N)c(OC2CC3C=CC=CC3C2)n1.
What is the InChIKey of 3-(2,3,3a,7a-tetrahydro-1H-inden-2-yloxy)-1-methylpyrazol-4-amine?
The InChIKey is MUIRKOZMEFJYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-8-12(14)13(15-16)17-11-6-9-4-2-3-5-10(9)7-11/h2-5,8-11H,6-7,14H2,1H3.
What are the key properties of 3-(2,3,3a,7a-tetrahydro-1H-inden-2-yloxy)-1-methylpyrazol-4-amine?
3-(2,3,3a,7a-tetrahydro-1H-inden-2-yloxy)-1-methylpyrazol-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3a,7a-tetrahydro-1H-inden-2-yloxy)-1-methylpyrazol-4-amine is sourced from PubChem (CID 90480997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).