1-benzyl-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrazole

C19H15FN4 — CID 95851374

IUPAC1-benzyl-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrazole
SMILESFc1ccc(-c2cn[nH]c2-c2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C19H15FN4/c20-17-8-6-15(7-9-17)18-11-21-23-19(18)16-10-22-24(13-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,21,23)
InChIKeyFAQWWRTWIMELIS-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.13
Rot. Bonds4

About 1-benzyl-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrazole

1-benzyl-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrazole (PubChem CID 95851374) has the molecular formula C19H15FN4 and a molecular weight of 318.36 g/mol. Its IUPAC name is 1-benzyl-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrazole.

Molecular Properties

Compound Name1-benzyl-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrazole
PubChem CID95851374
Molecular FormulaC19H15FN4
Molecular Weight318.36 g/mol
Exact Mass318.13
IUPAC Name1-benzyl-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrazole
SMILESFc1ccc(-c2cn[nH]c2-c2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C19H15FN4/c20-17-8-6-15(7-9-17)18-11-21-23-19(18)16-10-22-24(13-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,21,23)
InChIKeyFAQWWRTWIMELIS-UHFFFAOYSA-N
XLogP4.13
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrazole?
The IUPAC name of 1-benzyl-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrazole (CID 95851374) is 1-benzyl-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrazole.
What is the SMILES notation for 1-benzyl-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrazole?
The canonical SMILES for 1-benzyl-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrazole is Fc1ccc(-c2cn[nH]c2-c2cnn(Cc3ccccc3)c2)cc1.
What is the InChIKey of 1-benzyl-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrazole?
The InChIKey is FAQWWRTWIMELIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4/c20-17-8-6-15(7-9-17)18-11-21-23-19(18)16-10-22-24(13-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,21,23).
What are the key properties of 1-benzyl-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrazole?
1-benzyl-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrazole has a molecular weight of 318.36 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrazole is sourced from PubChem (CID 95851374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).