5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazole

C9H9FN2 — CID 3031280

IUPAC5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazole
SMILESFc1cccc(C2CC=NN2)c1
InChIInChI=1S/C9H9FN2/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-3,5-6,9,12H,4H2
InChIKeyCVLAJVBDTAOVJA-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.85
Rot. Bonds1

About 5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazole

5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 3031280) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazole
PubChem CID3031280
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazole
SMILESFc1cccc(C2CC=NN2)c1
InChIInChI=1S/C9H9FN2/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-3,5-6,9,12H,4H2
InChIKeyCVLAJVBDTAOVJA-UHFFFAOYSA-N
XLogP1.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazole (CID 3031280) is 5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazole is Fc1cccc(C2CC=NN2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is CVLAJVBDTAOVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-3,5-6,9,12H,4H2.
What are the key properties of 5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazole?
5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 164.18 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 3031280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).