4-phenyl-1-(2-phenylpropan-2-yl)-3-propan-2-ylpyrazol-5-amine

C21H25N3 — CID 72944451

IUPAC4-phenyl-1-(2-phenylpropan-2-yl)-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1nn(C(C)(C)c2ccccc2)c(N)c1-c1ccccc1
InChIInChI=1S/C21H25N3/c1-15(2)19-18(16-11-7-5-8-12-16)20(22)24(23-19)21(3,4)17-13-9-6-10-14-17/h5-15H,22H2,1-4H3
InChIKeyNMUHZIBAMBDNCX-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.04
Rot. Bonds4

About 4-phenyl-1-(2-phenylpropan-2-yl)-3-propan-2-ylpyrazol-5-amine

4-phenyl-1-(2-phenylpropan-2-yl)-3-propan-2-ylpyrazol-5-amine (PubChem CID 72944451) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-phenyl-1-(2-phenylpropan-2-yl)-3-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-phenyl-1-(2-phenylpropan-2-yl)-3-propan-2-ylpyrazol-5-amine
PubChem CID72944451
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name4-phenyl-1-(2-phenylpropan-2-yl)-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1nn(C(C)(C)c2ccccc2)c(N)c1-c1ccccc1
InChIInChI=1S/C21H25N3/c1-15(2)19-18(16-11-7-5-8-12-16)20(22)24(23-19)21(3,4)17-13-9-6-10-14-17/h5-15H,22H2,1-4H3
InChIKeyNMUHZIBAMBDNCX-UHFFFAOYSA-N
XLogP5.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(2-phenylpropan-2-yl)-3-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-phenyl-1-(2-phenylpropan-2-yl)-3-propan-2-ylpyrazol-5-amine (CID 72944451) is 4-phenyl-1-(2-phenylpropan-2-yl)-3-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-phenyl-1-(2-phenylpropan-2-yl)-3-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-phenyl-1-(2-phenylpropan-2-yl)-3-propan-2-ylpyrazol-5-amine is CC(C)c1nn(C(C)(C)c2ccccc2)c(N)c1-c1ccccc1.
What is the InChIKey of 4-phenyl-1-(2-phenylpropan-2-yl)-3-propan-2-ylpyrazol-5-amine?
The InChIKey is NMUHZIBAMBDNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-15(2)19-18(16-11-7-5-8-12-16)20(22)24(23-19)21(3,4)17-13-9-6-10-14-17/h5-15H,22H2,1-4H3.
What are the key properties of 4-phenyl-1-(2-phenylpropan-2-yl)-3-propan-2-ylpyrazol-5-amine?
4-phenyl-1-(2-phenylpropan-2-yl)-3-propan-2-ylpyrazol-5-amine has a molecular weight of 319.45 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(2-phenylpropan-2-yl)-3-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 72944451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).