1-[4-(4-pyrazol-1-ylphenyl)phenyl]pyrazole

C18H14N4 — CID 90769518

IUPAC1-[4-(4-pyrazol-1-ylphenyl)phenyl]pyrazole
SMILESc1cnn(-c2ccc(-c3ccc(-n4cccn4)cc3)cc2)c1
InChIInChI=1S/C18H14N4/c1-11-19-21(13-1)17-7-3-15(4-8-17)16-5-9-18(10-6-16)22-14-2-12-20-22/h1-14H
InChIKeyQMFAHWZEPHVSOD-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.72
Rot. Bonds3

About 1-[4-(4-pyrazol-1-ylphenyl)phenyl]pyrazole

1-[4-(4-pyrazol-1-ylphenyl)phenyl]pyrazole (PubChem CID 90769518) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[4-(4-pyrazol-1-ylphenyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[4-(4-pyrazol-1-ylphenyl)phenyl]pyrazole
PubChem CID90769518
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name1-[4-(4-pyrazol-1-ylphenyl)phenyl]pyrazole
SMILESc1cnn(-c2ccc(-c3ccc(-n4cccn4)cc3)cc2)c1
InChIInChI=1S/C18H14N4/c1-11-19-21(13-1)17-7-3-15(4-8-17)16-5-9-18(10-6-16)22-14-2-12-20-22/h1-14H
InChIKeyQMFAHWZEPHVSOD-UHFFFAOYSA-N
XLogP3.72
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-pyrazol-1-ylphenyl)phenyl]pyrazole?
The IUPAC name of 1-[4-(4-pyrazol-1-ylphenyl)phenyl]pyrazole (CID 90769518) is 1-[4-(4-pyrazol-1-ylphenyl)phenyl]pyrazole.
What is the SMILES notation for 1-[4-(4-pyrazol-1-ylphenyl)phenyl]pyrazole?
The canonical SMILES for 1-[4-(4-pyrazol-1-ylphenyl)phenyl]pyrazole is c1cnn(-c2ccc(-c3ccc(-n4cccn4)cc3)cc2)c1.
What is the InChIKey of 1-[4-(4-pyrazol-1-ylphenyl)phenyl]pyrazole?
The InChIKey is QMFAHWZEPHVSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-11-19-21(13-1)17-7-3-15(4-8-17)16-5-9-18(10-6-16)22-14-2-12-20-22/h1-14H.
What are the key properties of 1-[4-(4-pyrazol-1-ylphenyl)phenyl]pyrazole?
1-[4-(4-pyrazol-1-ylphenyl)phenyl]pyrazole has a molecular weight of 286.34 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-pyrazol-1-ylphenyl)phenyl]pyrazole is sourced from PubChem (CID 90769518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).