1-cyclobutyl-3-phenylpyrazol-5-amine

C13H15N3 — CID 56604603

IUPAC1-cyclobutyl-3-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1C1CCC1
InChIInChI=1S/C13H15N3/c14-13-9-12(10-5-2-1-3-6-10)15-16(13)11-7-4-8-11/h1-3,5-6,9,11H,4,7-8,14H2
InChIKeyRMYNGKAGNQSNMG-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.86
Rot. Bonds2

About 1-cyclobutyl-3-phenylpyrazol-5-amine

1-cyclobutyl-3-phenylpyrazol-5-amine (PubChem CID 56604603) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-cyclobutyl-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-phenylpyrazol-5-amine
PubChem CID56604603
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-cyclobutyl-3-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1C1CCC1
InChIInChI=1S/C13H15N3/c14-13-9-12(10-5-2-1-3-6-10)15-16(13)11-7-4-8-11/h1-3,5-6,9,11H,4,7-8,14H2
InChIKeyRMYNGKAGNQSNMG-UHFFFAOYSA-N
XLogP2.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-phenylpyrazol-5-amine?
The IUPAC name of 1-cyclobutyl-3-phenylpyrazol-5-amine (CID 56604603) is 1-cyclobutyl-3-phenylpyrazol-5-amine.
What is the SMILES notation for 1-cyclobutyl-3-phenylpyrazol-5-amine?
The canonical SMILES for 1-cyclobutyl-3-phenylpyrazol-5-amine is Nc1cc(-c2ccccc2)nn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-phenylpyrazol-5-amine?
The InChIKey is RMYNGKAGNQSNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-13-9-12(10-5-2-1-3-6-10)15-16(13)11-7-4-8-11/h1-3,5-6,9,11H,4,7-8,14H2.
What are the key properties of 1-cyclobutyl-3-phenylpyrazol-5-amine?
1-cyclobutyl-3-phenylpyrazol-5-amine has a molecular weight of 213.28 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-phenylpyrazol-5-amine is sourced from PubChem (CID 56604603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).