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

C10H11FN2 — CID 66693717

IUPAC5-(3-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazole
SMILESCC1=NNC(c2cccc(F)c2)C1
InChIInChI=1S/C10H11FN2/c1-7-5-10(13-12-7)8-3-2-4-9(11)6-8/h2-4,6,10,13H,5H2,1H3
InChIKeySCCYMOGVJZPHOR-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.24
Rot. Bonds1

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

5-(3-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazole (PubChem CID 66693717) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazole
PubChem CID66693717
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name5-(3-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazole
SMILESCC1=NNC(c2cccc(F)c2)C1
InChIInChI=1S/C10H11FN2/c1-7-5-10(13-12-7)8-3-2-4-9(11)6-8/h2-4,6,10,13H,5H2,1H3
InChIKeySCCYMOGVJZPHOR-UHFFFAOYSA-N
XLogP2.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-(3-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazole (CID 66693717) is 5-(3-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-(3-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-(3-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazole is CC1=NNC(c2cccc(F)c2)C1.
What is the InChIKey of 5-(3-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazole?
The InChIKey is SCCYMOGVJZPHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-7-5-10(13-12-7)8-3-2-4-9(11)6-8/h2-4,6,10,13H,5H2,1H3.
What are the key properties of 5-(3-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazole?
5-(3-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazole has a molecular weight of 178.21 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 66693717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).