5-methyl-2-(2-phenylethyl)pyrazol-3-amine

C12H15N3 — CID 3040480

IUPAC5-methyl-2-(2-phenylethyl)pyrazol-3-amine
SMILESCc1cc(N)n(CCc2ccccc2)n1
InChIInChI=1S/C12H15N3/c1-10-9-12(13)15(14-10)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8,13H2,1H3
InChIKeyGXCIRWLDRLTXOF-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.02
Rot. Bonds3

About 5-methyl-2-(2-phenylethyl)pyrazol-3-amine

5-methyl-2-(2-phenylethyl)pyrazol-3-amine (PubChem CID 3040480) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-methyl-2-(2-phenylethyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-(2-phenylethyl)pyrazol-3-amine
PubChem CID3040480
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name5-methyl-2-(2-phenylethyl)pyrazol-3-amine
SMILESCc1cc(N)n(CCc2ccccc2)n1
InChIInChI=1S/C12H15N3/c1-10-9-12(13)15(14-10)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8,13H2,1H3
InChIKeyGXCIRWLDRLTXOF-UHFFFAOYSA-N
XLogP2.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-phenylethyl)pyrazol-3-amine?
The IUPAC name of 5-methyl-2-(2-phenylethyl)pyrazol-3-amine (CID 3040480) is 5-methyl-2-(2-phenylethyl)pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-(2-phenylethyl)pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-(2-phenylethyl)pyrazol-3-amine is Cc1cc(N)n(CCc2ccccc2)n1.
What is the InChIKey of 5-methyl-2-(2-phenylethyl)pyrazol-3-amine?
The InChIKey is GXCIRWLDRLTXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10-9-12(13)15(14-10)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8,13H2,1H3.
What are the key properties of 5-methyl-2-(2-phenylethyl)pyrazol-3-amine?
5-methyl-2-(2-phenylethyl)pyrazol-3-amine has a molecular weight of 201.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-phenylethyl)pyrazol-3-amine is sourced from PubChem (CID 3040480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).