(2S)-2-(3-phenylpyrazol-1-yl)propan-1-amine

C12H15N3 — CID 118514487

IUPAC(2S)-2-(3-phenylpyrazol-1-yl)propan-1-amine
SMILESC[C@@H](CN)n1ccc(-c2ccccc2)n1
InChIInChI=1S/C12H15N3/c1-10(9-13)15-8-7-12(14-15)11-5-3-2-4-6-11/h2-8,10H,9,13H2,1H3/t10-/m0/s1
InChIKeyKZKPGFYLYKPLRQ-JTQLQIEISA-N
MW201.27 g/mol
LogP2.07
Rot. Bonds3

About (2S)-2-(3-phenylpyrazol-1-yl)propan-1-amine

(2S)-2-(3-phenylpyrazol-1-yl)propan-1-amine (PubChem CID 118514487) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S)-2-(3-phenylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name(2S)-2-(3-phenylpyrazol-1-yl)propan-1-amine
PubChem CID118514487
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name(2S)-2-(3-phenylpyrazol-1-yl)propan-1-amine
SMILESC[C@@H](CN)n1ccc(-c2ccccc2)n1
InChIInChI=1S/C12H15N3/c1-10(9-13)15-8-7-12(14-15)11-5-3-2-4-6-11/h2-8,10H,9,13H2,1H3/t10-/m0/s1
InChIKeyKZKPGFYLYKPLRQ-JTQLQIEISA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-phenylpyrazol-1-yl)propan-1-amine?
The IUPAC name of (2S)-2-(3-phenylpyrazol-1-yl)propan-1-amine (CID 118514487) is (2S)-2-(3-phenylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for (2S)-2-(3-phenylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for (2S)-2-(3-phenylpyrazol-1-yl)propan-1-amine is C[C@@H](CN)n1ccc(-c2ccccc2)n1.
What is the InChIKey of (2S)-2-(3-phenylpyrazol-1-yl)propan-1-amine?
The InChIKey is KZKPGFYLYKPLRQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N3/c1-10(9-13)15-8-7-12(14-15)11-5-3-2-4-6-11/h2-8,10H,9,13H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-(3-phenylpyrazol-1-yl)propan-1-amine?
(2S)-2-(3-phenylpyrazol-1-yl)propan-1-amine has a molecular weight of 201.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-phenylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 118514487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).