8-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene

C21H16F2N4 — CID 71084025

IUPAC8-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESFc1ccc(C2NNC=C2c2ccc3[nH]n(-c4ccc(F)cc4)c3c2)cc1
InChIInChI=1S/C21H16F2N4/c22-15-4-1-13(2-5-15)21-18(12-24-25-21)14-3-10-19-20(11-14)27(26-19)17-8-6-16(23)7-9-17/h1-12,21,24-26H
InChIKeyGDFVTCHNHQUAKH-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.43
Rot. Bonds3

About 8-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene

8-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 71084025) has the molecular formula C21H16F2N4 and a molecular weight of 362.38 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name8-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID71084025
Molecular FormulaC21H16F2N4
Molecular Weight362.38 g/mol
Exact Mass362.13
IUPAC Name8-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESFc1ccc(C2NNC=C2c2ccc3[nH]n(-c4ccc(F)cc4)c3c2)cc1
InChIInChI=1S/C21H16F2N4/c22-15-4-1-13(2-5-15)21-18(12-24-25-21)14-3-10-19-20(11-14)27(26-19)17-8-6-16(23)7-9-17/h1-12,21,24-26H
InChIKeyGDFVTCHNHQUAKH-UHFFFAOYSA-N
XLogP4.43
TPSA44.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 8-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 8-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene (CID 71084025) is 8-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 8-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 8-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene is Fc1ccc(C2NNC=C2c2ccc3[nH]n(-c4ccc(F)cc4)c3c2)cc1.
What is the InChIKey of 8-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is GDFVTCHNHQUAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4/c22-15-4-1-13(2-5-15)21-18(12-24-25-21)14-3-10-19-20(11-14)27(26-19)17-8-6-16(23)7-9-17/h1-12,21,24-26H.
What are the key properties of 8-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
8-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 362.38 g/mol, XLogP of 4.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 71084025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).