3-cyclobutyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine

C13H16N4 — CID 80521580

IUPAC3-cyclobutyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCn1nc(C2CCC2)c(-c2ccccn2)c1N
InChIInChI=1S/C13H16N4/c1-17-13(14)11(10-7-2-3-8-15-10)12(16-17)9-5-4-6-9/h2-3,7-9H,4-6,14H2,1H3
InChIKeyRAYBUUKXRXODGU-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.33
Rot. Bonds2

About 3-cyclobutyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine

3-cyclobutyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine (PubChem CID 80521580) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-cyclobutyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine
PubChem CID80521580
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-cyclobutyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCn1nc(C2CCC2)c(-c2ccccn2)c1N
InChIInChI=1S/C13H16N4/c1-17-13(14)11(10-7-2-3-8-15-10)12(16-17)9-5-4-6-9/h2-3,7-9H,4-6,14H2,1H3
InChIKeyRAYBUUKXRXODGU-UHFFFAOYSA-N
XLogP2.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The IUPAC name of 3-cyclobutyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine (CID 80521580) is 3-cyclobutyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-cyclobutyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The canonical SMILES for 3-cyclobutyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine is Cn1nc(C2CCC2)c(-c2ccccn2)c1N.
What is the InChIKey of 3-cyclobutyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The InChIKey is RAYBUUKXRXODGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-17-13(14)11(10-7-2-3-8-15-10)12(16-17)9-5-4-6-9/h2-3,7-9H,4-6,14H2,1H3.
What are the key properties of 3-cyclobutyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
3-cyclobutyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine has a molecular weight of 228.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-methyl-4-pyridin-2-ylpyrazol-5-amine is sourced from PubChem (CID 80521580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).