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

C24H30FN3O — CID 25230668

IUPAC3-(2-fluorophenyl)-2-pentyl-N-(2-phenylpropyl)-3,4-dihydropyrazole-5-carboxamide
SMILESCCCCCN1N=C(C(=O)NCC(C)c2ccccc2)CC1c1ccccc1F
InChIInChI=1S/C24H30FN3O/c1-3-4-10-15-28-23(20-13-8-9-14-21(20)25)16-22(27-28)24(29)26-17-18(2)19-11-6-5-7-12-19/h5-9,11-14,18,23H,3-4,10,15-17H2,1-2H3,(H,26,29)
InChIKeyPPSPSNXTTZORIB-UHFFFAOYSA-N
MW395.52 g/mol
LogP5.04
Rot. Bonds9

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

3-(2-fluorophenyl)-2-pentyl-N-(2-phenylpropyl)-3,4-dihydropyrazole-5-carboxamide (PubChem CID 25230668) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-pentyl-N-(2-phenylpropyl)-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-pentyl-N-(2-phenylpropyl)-3,4-dihydropyrazole-5-carboxamide
PubChem CID25230668
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name3-(2-fluorophenyl)-2-pentyl-N-(2-phenylpropyl)-3,4-dihydropyrazole-5-carboxamide
SMILESCCCCCN1N=C(C(=O)NCC(C)c2ccccc2)CC1c1ccccc1F
InChIInChI=1S/C24H30FN3O/c1-3-4-10-15-28-23(20-13-8-9-14-21(20)25)16-22(27-28)24(29)26-17-18(2)19-11-6-5-7-12-19/h5-9,11-14,18,23H,3-4,10,15-17H2,1-2H3,(H,26,29)
InChIKeyPPSPSNXTTZORIB-UHFFFAOYSA-N
XLogP5.04
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 55.04
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-(2-phenylpropyl)-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-2-pentyl-N-(2-phenylpropyl)-3,4-dihydropyrazole-5-carboxamide (CID 25230668) is 3-(2-fluorophenyl)-2-pentyl-N-(2-phenylpropyl)-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-2-pentyl-N-(2-phenylpropyl)-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-2-pentyl-N-(2-phenylpropyl)-3,4-dihydropyrazole-5-carboxamide is CCCCCN1N=C(C(=O)NCC(C)c2ccccc2)CC1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-pentyl-N-(2-phenylpropyl)-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is PPSPSNXTTZORIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-3-4-10-15-28-23(20-13-8-9-14-21(20)25)16-22(27-28)24(29)26-17-18(2)19-11-6-5-7-12-19/h5-9,11-14,18,23H,3-4,10,15-17H2,1-2H3,(H,26,29).
What are the key properties of 3-(2-fluorophenyl)-2-pentyl-N-(2-phenylpropyl)-3,4-dihydropyrazole-5-carboxamide?
3-(2-fluorophenyl)-2-pentyl-N-(2-phenylpropyl)-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 395.52 g/mol, XLogP of 5.04, 9 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-(2-phenylpropyl)-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 25230668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).