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

C9H9FN2 — CID 13143699

IUPAC3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole
SMILESFc1ccc(C2=NNCC2)cc1
InChIInChI=1S/C9H9FN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-4,11H,5-6H2
InChIKeySMCNHUBHPMMJQX-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.52
Rot. Bonds1

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

3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 13143699) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole
PubChem CID13143699
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole
SMILESFc1ccc(C2=NNCC2)cc1
InChIInChI=1S/C9H9FN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-4,11H,5-6H2
InChIKeySMCNHUBHPMMJQX-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole (CID 13143699) is 3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole is Fc1ccc(C2=NNCC2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is SMCNHUBHPMMJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-4,11H,5-6H2.
What are the key properties of 3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole?
3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 164.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 13143699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).