3-phenyl-1-propan-2-ylpyrazol-5-amine

C12H15N3 — CID 54593274

IUPAC3-phenyl-1-propan-2-ylpyrazol-5-amine
SMILESCC(C)n1nc(-c2ccccc2)cc1N
InChIInChI=1S/C12H15N3/c1-9(2)15-12(13)8-11(14-15)10-6-4-3-5-7-10/h3-9H,13H2,1-2H3
InChIKeyBCLGGAULDBHZDU-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.71
Rot. Bonds2

About 3-phenyl-1-propan-2-ylpyrazol-5-amine

3-phenyl-1-propan-2-ylpyrazol-5-amine (PubChem CID 54593274) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-phenyl-1-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-phenyl-1-propan-2-ylpyrazol-5-amine
PubChem CID54593274
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-phenyl-1-propan-2-ylpyrazol-5-amine
SMILESCC(C)n1nc(-c2ccccc2)cc1N
InChIInChI=1S/C12H15N3/c1-9(2)15-12(13)8-11(14-15)10-6-4-3-5-7-10/h3-9H,13H2,1-2H3
InChIKeyBCLGGAULDBHZDU-UHFFFAOYSA-N
XLogP2.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-propan-2-ylpyrazol-5-amine?
The IUPAC name of 3-phenyl-1-propan-2-ylpyrazol-5-amine (CID 54593274) is 3-phenyl-1-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-phenyl-1-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 3-phenyl-1-propan-2-ylpyrazol-5-amine is CC(C)n1nc(-c2ccccc2)cc1N.
What is the InChIKey of 3-phenyl-1-propan-2-ylpyrazol-5-amine?
The InChIKey is BCLGGAULDBHZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9(2)15-12(13)8-11(14-15)10-6-4-3-5-7-10/h3-9H,13H2,1-2H3.
What are the key properties of 3-phenyl-1-propan-2-ylpyrazol-5-amine?
3-phenyl-1-propan-2-ylpyrazol-5-amine has a molecular weight of 201.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 54593274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).