1-(3-phenylpropyl)-3-propan-2-ylpyrazole

C15H20N2 — CID 66014343

IUPAC1-(3-phenylpropyl)-3-propan-2-ylpyrazole
SMILESCC(C)c1ccn(CCCc2ccccc2)n1
InChIInChI=1S/C15H20N2/c1-13(2)15-10-12-17(16-15)11-6-9-14-7-4-3-5-8-14/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3
InChIKeyNELIPUHPDAHEAF-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.64
Rot. Bonds5

About 1-(3-phenylpropyl)-3-propan-2-ylpyrazole

1-(3-phenylpropyl)-3-propan-2-ylpyrazole (PubChem CID 66014343) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(3-phenylpropyl)-3-propan-2-ylpyrazole
PubChem CID66014343
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-(3-phenylpropyl)-3-propan-2-ylpyrazole
SMILESCC(C)c1ccn(CCCc2ccccc2)n1
InChIInChI=1S/C15H20N2/c1-13(2)15-10-12-17(16-15)11-6-9-14-7-4-3-5-8-14/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3
InChIKeyNELIPUHPDAHEAF-UHFFFAOYSA-N
XLogP3.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-3-propan-2-ylpyrazole?
The IUPAC name of 1-(3-phenylpropyl)-3-propan-2-ylpyrazole (CID 66014343) is 1-(3-phenylpropyl)-3-propan-2-ylpyrazole.
What is the SMILES notation for 1-(3-phenylpropyl)-3-propan-2-ylpyrazole?
The canonical SMILES for 1-(3-phenylpropyl)-3-propan-2-ylpyrazole is CC(C)c1ccn(CCCc2ccccc2)n1.
What is the InChIKey of 1-(3-phenylpropyl)-3-propan-2-ylpyrazole?
The InChIKey is NELIPUHPDAHEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-13(2)15-10-12-17(16-15)11-6-9-14-7-4-3-5-8-14/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3.
What are the key properties of 1-(3-phenylpropyl)-3-propan-2-ylpyrazole?
1-(3-phenylpropyl)-3-propan-2-ylpyrazole has a molecular weight of 228.34 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-3-propan-2-ylpyrazole is sourced from PubChem (CID 66014343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).