3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-pentyl-3,4-dihydropyrazole-5-carboxamide

C22H25F2N3O — CID 25230667

IUPAC3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-pentyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCCCCN1N=C(C(=O)NCc2cccc(F)c2)CC1c1ccccc1F
InChIInChI=1S/C22H25F2N3O/c1-2-3-6-12-27-21(18-10-4-5-11-19(18)24)14-20(26-27)22(28)25-15-16-8-7-9-17(23)13-16/h4-5,7-11,13,21H,2-3,6,12,14-15H2,1H3,(H,25,28)
InChIKeyYMUPBNOTFGNTIE-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.57
Rot. Bonds8

About 3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-pentyl-3,4-dihydropyrazole-5-carboxamide

3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-pentyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 25230667) has the molecular formula C22H25F2N3O and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-pentyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-pentyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID25230667
Molecular FormulaC22H25F2N3O
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-pentyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCCCCN1N=C(C(=O)NCc2cccc(F)c2)CC1c1ccccc1F
InChIInChI=1S/C22H25F2N3O/c1-2-3-6-12-27-21(18-10-4-5-11-19(18)24)14-20(26-27)22(28)25-15-16-8-7-9-17(23)13-16/h4-5,7-11,13,21H,2-3,6,12,14-15H2,1H3,(H,25,28)
InChIKeyYMUPBNOTFGNTIE-UHFFFAOYSA-N
XLogP4.57
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.57
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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Related Compounds

3-(2-fluorophenyl)-2-pentyl-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrazole-5-carboxamide
CID 25230599
N-[[(4R)-8,8-dimethyl-4-tricyclo[5.1.0.01,3]octanyl]methyl]-3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazole-5-carboxamide
CID 58330501
3-(2-fluorophenyl)-N-[3-[3-methyl-2-(methylamino)phenyl]but-3-enyl]-2-pentyl-3,4-dihydropyrazole-5-carboxamide
CID 143778908
(2S,3R)-3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739769
(3S,4S)-1-[(3-fluorophenyl)methylcarbamoyl]-4-propylpyrrolidine-3-carboxylic acid
CID 72889604
5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 115330388
4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108898587
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43643225
(3R)-3-phenyl-2-propyl-3,4-dihydropyrazole-5-carboxylic acid
CID 129411431
1-[(3-fluorophenyl)methyl]-2-methyl-3-pentylguanidine;hydroiodide
CID 111128366
N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide
CID 62165093

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-pentyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-pentyl-3,4-dihydropyrazole-5-carboxamide (CID 25230667) is 3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-pentyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-pentyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-pentyl-3,4-dihydropyrazole-5-carboxamide is CCCCCN1N=C(C(=O)NCc2cccc(F)c2)CC1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-pentyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is YMUPBNOTFGNTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O/c1-2-3-6-12-27-21(18-10-4-5-11-19(18)24)14-20(26-27)22(28)25-15-16-8-7-9-17(23)13-16/h4-5,7-11,13,21H,2-3,6,12,14-15H2,1H3,(H,25,28).
What are the key properties of 3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-pentyl-3,4-dihydropyrazole-5-carboxamide?
3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-pentyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-pentyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 25230667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).