4-[4-(1-phenylethyl)phenyl]-1H-pyrazole

C17H16N2 — CID 70840207

IUPAC4-[4-(1-phenylethyl)phenyl]-1H-pyrazole
SMILESCC(c1ccccc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C17H16N2/c1-13(14-5-3-2-4-6-14)15-7-9-16(10-8-15)17-11-18-19-12-17/h2-13H,1H3,(H,18,19)
InChIKeyRXVKRWJZVLZGGF-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.23
Rot. Bonds3

About 4-[4-(1-phenylethyl)phenyl]-1H-pyrazole

4-[4-(1-phenylethyl)phenyl]-1H-pyrazole (PubChem CID 70840207) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[4-(1-phenylethyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[4-(1-phenylethyl)phenyl]-1H-pyrazole
PubChem CID70840207
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name4-[4-(1-phenylethyl)phenyl]-1H-pyrazole
SMILESCC(c1ccccc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C17H16N2/c1-13(14-5-3-2-4-6-14)15-7-9-16(10-8-15)17-11-18-19-12-17/h2-13H,1H3,(H,18,19)
InChIKeyRXVKRWJZVLZGGF-UHFFFAOYSA-N
XLogP4.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-phenylethyl)phenyl]-1H-pyrazole?
The IUPAC name of 4-[4-(1-phenylethyl)phenyl]-1H-pyrazole (CID 70840207) is 4-[4-(1-phenylethyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 4-[4-(1-phenylethyl)phenyl]-1H-pyrazole?
The canonical SMILES for 4-[4-(1-phenylethyl)phenyl]-1H-pyrazole is CC(c1ccccc1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 4-[4-(1-phenylethyl)phenyl]-1H-pyrazole?
The InChIKey is RXVKRWJZVLZGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-13(14-5-3-2-4-6-14)15-7-9-16(10-8-15)17-11-18-19-12-17/h2-13H,1H3,(H,18,19).
What are the key properties of 4-[4-(1-phenylethyl)phenyl]-1H-pyrazole?
4-[4-(1-phenylethyl)phenyl]-1H-pyrazole has a molecular weight of 248.33 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-phenylethyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 70840207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).