N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide

C25H32FN3O — CID 25230524

IUPACN-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCCCCN1N=C(C(=O)NC(C)(C)Cc2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C25H32FN3O/c1-4-5-9-16-29-23(20-10-7-6-8-11-20)17-22(28-29)24(30)27-25(2,3)18-19-12-14-21(26)15-13-19/h6-8,10-15,23H,4-5,9,16-18H2,1-3H3,(H,27,30)
InChIKeyGFQABZNAQFSAFS-UHFFFAOYSA-N
MW409.55 g/mol
LogP5.26
Rot. Bonds9

About N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide

N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 25230524) has the molecular formula C25H32FN3O and a molecular weight of 409.55 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID25230524
Molecular FormulaC25H32FN3O
Molecular Weight409.55 g/mol
Exact Mass409.25
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCCCCN1N=C(C(=O)NC(C)(C)Cc2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C25H32FN3O/c1-4-5-9-16-29-23(20-10-7-6-8-11-20)17-22(28-29)24(30)27-25(2,3)18-19-12-14-21(26)15-13-19/h6-8,10-15,23H,4-5,9,16-18H2,1-3H3,(H,27,30)
InChIKeyGFQABZNAQFSAFS-UHFFFAOYSA-N
XLogP5.26
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.55
LogP ≤ 55.26
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 N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide (CID 25230524) is N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide is CCCCCN1N=C(C(=O)NC(C)(C)Cc2ccc(F)cc2)CC1c1ccccc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is GFQABZNAQFSAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O/c1-4-5-9-16-29-23(20-10-7-6-8-11-20)17-22(28-29)24(30)27-25(2,3)18-19-12-14-21(26)15-13-19/h6-8,10-15,23H,4-5,9,16-18H2,1-3H3,(H,27,30).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 409.55 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 25230524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).