1-[1,1-bis(3-phenylpyrazol-1-yl)ethyl]-3-phenylpyrazole

C29H24N6 — CID 12024363

IUPAC1-[1,1-bis(3-phenylpyrazol-1-yl)ethyl]-3-phenylpyrazole
SMILESCC(n1ccc(-c2ccccc2)n1)(n1ccc(-c2ccccc2)n1)n1ccc(-c2ccccc2)n1
InChIInChI=1S/C29H24N6/c1-29(33-20-17-26(30-33)23-11-5-2-6-12-23,34-21-18-27(31-34)24-13-7-3-8-14-24)35-22-19-28(32-35)25-15-9-4-10-16-25/h2-22H,1H3
InChIKeyKEZOVRFMSOYALT-UHFFFAOYSA-N
MW456.55 g/mol
LogP6.00
Rot. Bonds6

About 1-[1,1-bis(3-phenylpyrazol-1-yl)ethyl]-3-phenylpyrazole

1-[1,1-bis(3-phenylpyrazol-1-yl)ethyl]-3-phenylpyrazole (PubChem CID 12024363) has the molecular formula C29H24N6 and a molecular weight of 456.55 g/mol. Its IUPAC name is 1-[1,1-bis(3-phenylpyrazol-1-yl)ethyl]-3-phenylpyrazole.

Molecular Properties

Compound Name1-[1,1-bis(3-phenylpyrazol-1-yl)ethyl]-3-phenylpyrazole
PubChem CID12024363
Molecular FormulaC29H24N6
Molecular Weight456.55 g/mol
Exact Mass456.21
IUPAC Name1-[1,1-bis(3-phenylpyrazol-1-yl)ethyl]-3-phenylpyrazole
SMILESCC(n1ccc(-c2ccccc2)n1)(n1ccc(-c2ccccc2)n1)n1ccc(-c2ccccc2)n1
InChIInChI=1S/C29H24N6/c1-29(33-20-17-26(30-33)23-11-5-2-6-12-23,34-21-18-27(31-34)24-13-7-3-8-14-24)35-22-19-28(32-35)25-15-9-4-10-16-25/h2-22H,1H3
InChIKeyKEZOVRFMSOYALT-UHFFFAOYSA-N
XLogP6.00
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis(3-phenylpyrazol-1-yl)ethyl]-3-phenylpyrazole?
The IUPAC name of 1-[1,1-bis(3-phenylpyrazol-1-yl)ethyl]-3-phenylpyrazole (CID 12024363) is 1-[1,1-bis(3-phenylpyrazol-1-yl)ethyl]-3-phenylpyrazole.
What is the SMILES notation for 1-[1,1-bis(3-phenylpyrazol-1-yl)ethyl]-3-phenylpyrazole?
The canonical SMILES for 1-[1,1-bis(3-phenylpyrazol-1-yl)ethyl]-3-phenylpyrazole is CC(n1ccc(-c2ccccc2)n1)(n1ccc(-c2ccccc2)n1)n1ccc(-c2ccccc2)n1.
What is the InChIKey of 1-[1,1-bis(3-phenylpyrazol-1-yl)ethyl]-3-phenylpyrazole?
The InChIKey is KEZOVRFMSOYALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6/c1-29(33-20-17-26(30-33)23-11-5-2-6-12-23,34-21-18-27(31-34)24-13-7-3-8-14-24)35-22-19-28(32-35)25-15-9-4-10-16-25/h2-22H,1H3.
What are the key properties of 1-[1,1-bis(3-phenylpyrazol-1-yl)ethyl]-3-phenylpyrazole?
1-[1,1-bis(3-phenylpyrazol-1-yl)ethyl]-3-phenylpyrazole has a molecular weight of 456.55 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-bis(3-phenylpyrazol-1-yl)ethyl]-3-phenylpyrazole is sourced from PubChem (CID 12024363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).