2-cyclopentyl-1-[3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazol-5-yl]ethanone

C21H29FN2O — CID 58330463

IUPAC2-cyclopentyl-1-[3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazol-5-yl]ethanone
SMILESCCCCCN1N=C(C(=O)CC2CCCC2)CC1c1ccccc1F
InChIInChI=1S/C21H29FN2O/c1-2-3-8-13-24-20(17-11-6-7-12-18(17)22)15-19(23-24)21(25)14-16-9-4-5-10-16/h6-7,11-12,16,20H,2-5,8-10,13-15H2,1H3
InChIKeyGTZNABGMHCUZFZ-UHFFFAOYSA-N
MW344.47 g/mol
LogP5.27
Rot. Bonds8

About 2-cyclopentyl-1-[3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazol-5-yl]ethanone

2-cyclopentyl-1-[3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazol-5-yl]ethanone (PubChem CID 58330463) has the molecular formula C21H29FN2O and a molecular weight of 344.47 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazol-5-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazol-5-yl]ethanone
PubChem CID58330463
Molecular FormulaC21H29FN2O
Molecular Weight344.47 g/mol
Exact Mass344.23
IUPAC Name2-cyclopentyl-1-[3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazol-5-yl]ethanone
SMILESCCCCCN1N=C(C(=O)CC2CCCC2)CC1c1ccccc1F
InChIInChI=1S/C21H29FN2O/c1-2-3-8-13-24-20(17-11-6-7-12-18(17)22)15-19(23-24)21(25)14-16-9-4-5-10-16/h6-7,11-12,16,20H,2-5,8-10,13-15H2,1H3
InChIKeyGTZNABGMHCUZFZ-UHFFFAOYSA-N
XLogP5.27
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.47
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-cyclopentyl-1-[3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazol-5-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazol-5-yl]ethanone (CID 58330463) is 2-cyclopentyl-1-[3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazol-5-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazol-5-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazol-5-yl]ethanone is CCCCCN1N=C(C(=O)CC2CCCC2)CC1c1ccccc1F.
What is the InChIKey of 2-cyclopentyl-1-[3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazol-5-yl]ethanone?
The InChIKey is GTZNABGMHCUZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O/c1-2-3-8-13-24-20(17-11-6-7-12-18(17)22)15-19(23-24)21(25)14-16-9-4-5-10-16/h6-7,11-12,16,20H,2-5,8-10,13-15H2,1H3.
What are the key properties of 2-cyclopentyl-1-[3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazol-5-yl]ethanone?
2-cyclopentyl-1-[3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazol-5-yl]ethanone has a molecular weight of 344.47 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazol-5-yl]ethanone is sourced from PubChem (CID 58330463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).