3-(2-fluorophenyl)-2-pentyl-N-phenyl-3,4-dihydropyrazole-5-carboxamide

C21H24FN3O — CID 141231052

IUPAC3-(2-fluorophenyl)-2-pentyl-N-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCCCCN1N=C(C(=O)Nc2ccccc2)CC1c1ccccc1F
InChIInChI=1S/C21H24FN3O/c1-2-3-9-14-25-20(17-12-7-8-13-18(17)22)15-19(24-25)21(26)23-16-10-5-4-6-11-16/h4-8,10-13,20H,2-3,9,14-15H2,1H3,(H,23,26)
InChIKeyRUGWWQASFCRALZ-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.76
Rot. Bonds7

About 3-(2-fluorophenyl)-2-pentyl-N-phenyl-3,4-dihydropyrazole-5-carboxamide

3-(2-fluorophenyl)-2-pentyl-N-phenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 141231052) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-pentyl-N-phenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-pentyl-N-phenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID141231052
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name3-(2-fluorophenyl)-2-pentyl-N-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCCCCN1N=C(C(=O)Nc2ccccc2)CC1c1ccccc1F
InChIInChI=1S/C21H24FN3O/c1-2-3-9-14-25-20(17-12-7-8-13-18(17)22)15-19(24-25)21(26)23-16-10-5-4-6-11-16/h4-8,10-13,20H,2-3,9,14-15H2,1H3,(H,23,26)
InChIKeyRUGWWQASFCRALZ-UHFFFAOYSA-N
XLogP4.76
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
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 3-(2-fluorophenyl)-2-pentyl-N-phenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-2-pentyl-N-phenyl-3,4-dihydropyrazole-5-carboxamide (CID 141231052) is 3-(2-fluorophenyl)-2-pentyl-N-phenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-2-pentyl-N-phenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-2-pentyl-N-phenyl-3,4-dihydropyrazole-5-carboxamide is CCCCCN1N=C(C(=O)Nc2ccccc2)CC1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-pentyl-N-phenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is RUGWWQASFCRALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-2-3-9-14-25-20(17-12-7-8-13-18(17)22)15-19(24-25)21(26)23-16-10-5-4-6-11-16/h4-8,10-13,20H,2-3,9,14-15H2,1H3,(H,23,26).
What are the key properties of 3-(2-fluorophenyl)-2-pentyl-N-phenyl-3,4-dihydropyrazole-5-carboxamide?
3-(2-fluorophenyl)-2-pentyl-N-phenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-pentyl-N-phenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 141231052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).