3-(2-fluorophenyl)-5-methyl-2-pentyl-3,4-dihydropyrazole

C15H21FN2 — CID 71025637

IUPAC3-(2-fluorophenyl)-5-methyl-2-pentyl-3,4-dihydropyrazole
SMILESCCCCCN1N=C(C)CC1c1ccccc1F
InChIInChI=1S/C15H21FN2/c1-3-4-7-10-18-15(11-12(2)17-18)13-8-5-6-9-14(13)16/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3
InChIKeyCCYKYBNXIFVGRJ-UHFFFAOYSA-N
MW248.34 g/mol
LogP4.14
Rot. Bonds5

About 3-(2-fluorophenyl)-5-methyl-2-pentyl-3,4-dihydropyrazole

3-(2-fluorophenyl)-5-methyl-2-pentyl-3,4-dihydropyrazole (PubChem CID 71025637) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-methyl-2-pentyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-methyl-2-pentyl-3,4-dihydropyrazole
PubChem CID71025637
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name3-(2-fluorophenyl)-5-methyl-2-pentyl-3,4-dihydropyrazole
SMILESCCCCCN1N=C(C)CC1c1ccccc1F
InChIInChI=1S/C15H21FN2/c1-3-4-7-10-18-15(11-12(2)17-18)13-8-5-6-9-14(13)16/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3
InChIKeyCCYKYBNXIFVGRJ-UHFFFAOYSA-N
XLogP4.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-methyl-2-pentyl-3,4-dihydropyrazole?
The IUPAC name of 3-(2-fluorophenyl)-5-methyl-2-pentyl-3,4-dihydropyrazole (CID 71025637) is 3-(2-fluorophenyl)-5-methyl-2-pentyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(2-fluorophenyl)-5-methyl-2-pentyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(2-fluorophenyl)-5-methyl-2-pentyl-3,4-dihydropyrazole is CCCCCN1N=C(C)CC1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-5-methyl-2-pentyl-3,4-dihydropyrazole?
The InChIKey is CCYKYBNXIFVGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-3-4-7-10-18-15(11-12(2)17-18)13-8-5-6-9-14(13)16/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-5-methyl-2-pentyl-3,4-dihydropyrazole?
3-(2-fluorophenyl)-5-methyl-2-pentyl-3,4-dihydropyrazole has a molecular weight of 248.34 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-methyl-2-pentyl-3,4-dihydropyrazole is sourced from PubChem (CID 71025637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).