1-[[4-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]pyrazole

C20H18N4 — CID 90839421

IUPAC1-[[4-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]pyrazole
SMILESc1cnn(Cc2ccc(-c3ccc(Cn4cccn4)cc3)cc2)c1
InChIInChI=1S/C20H18N4/c1-11-21-23(13-1)15-17-3-7-19(8-4-17)20-9-5-18(6-10-20)16-24-14-2-12-22-24/h1-14H,15-16H2
InChIKeyVQESFDOWAHMOQO-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.84
Rot. Bonds5

About 1-[[4-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]pyrazole

1-[[4-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]pyrazole (PubChem CID 90839421) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[[4-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]pyrazole.

Molecular Properties

Compound Name1-[[4-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]pyrazole
PubChem CID90839421
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name1-[[4-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]pyrazole
SMILESc1cnn(Cc2ccc(-c3ccc(Cn4cccn4)cc3)cc2)c1
InChIInChI=1S/C20H18N4/c1-11-21-23(13-1)15-17-3-7-19(8-4-17)20-9-5-18(6-10-20)16-24-14-2-12-22-24/h1-14H,15-16H2
InChIKeyVQESFDOWAHMOQO-UHFFFAOYSA-N
XLogP3.84
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.84
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-ylmethyl)phenyl]phenyl]methyl]pyrazole?
The IUPAC name of 1-[[4-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]pyrazole (CID 90839421) is 1-[[4-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]pyrazole.
What is the SMILES notation for 1-[[4-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]pyrazole?
The canonical SMILES for 1-[[4-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]pyrazole is c1cnn(Cc2ccc(-c3ccc(Cn4cccn4)cc3)cc2)c1.
What is the InChIKey of 1-[[4-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]pyrazole?
The InChIKey is VQESFDOWAHMOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-11-21-23(13-1)15-17-3-7-19(8-4-17)20-9-5-18(6-10-20)16-24-14-2-12-22-24/h1-14H,15-16H2.
What are the key properties of 1-[[4-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]pyrazole?
1-[[4-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]pyrazole has a molecular weight of 314.39 g/mol, XLogP of 3.84, 5 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-ylmethyl)phenyl]phenyl]methyl]pyrazole is sourced from PubChem (CID 90839421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).