2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C23H17F5N4O2 — CID 139628072

IUPAC2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CC(c2cccc(F)n2)C(c2ccc(F)cc2)=N1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H17F5N4O2/c24-15-6-4-14(5-7-15)22-18(19-2-1-3-20(25)30-19)12-32(31-22)13-21(33)29-16-8-10-17(11-9-16)34-23(26,27)28/h1-11,18H,12-13H2,(H,29,33)
InChIKeySGEWGBBBMCLVCT-UHFFFAOYSA-N
MW476.41 g/mol
LogP4.70
Rot. Bonds6

About 2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 139628072) has the molecular formula C23H17F5N4O2 and a molecular weight of 476.41 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID139628072
Molecular FormulaC23H17F5N4O2
Molecular Weight476.41 g/mol
Exact Mass476.13
IUPAC Name2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CC(c2cccc(F)n2)C(c2ccc(F)cc2)=N1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H17F5N4O2/c24-15-6-4-14(5-7-15)22-18(19-2-1-3-20(25)30-19)12-32(31-22)13-21(33)29-16-8-10-17(11-9-16)34-23(26,27)28/h1-11,18H,12-13H2,(H,29,33)
InChIKeySGEWGBBBMCLVCT-UHFFFAOYSA-N
XLogP4.70
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide
CID 139628081
2-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 139628110
N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide
CID 139628128
2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 139628114
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
5-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazole-2-carboxamide
CID 18987687
methyl N-[5-(4-chlorophenyl)-2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-3,4-dihydropyrazol-4-yl]-N-prop-2-ynylcarbamate
CID 139633786
2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 139656682
5-[4-(difluoromethoxy)phenyl]-4-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 13275000
4-(5-chloro-1,3-thiazol-2-yl)-5-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 15239257
2-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29164879
N-[(4-fluorophenyl)methyl]-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide
CID 29164830

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 139628072) is 2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CN1CC(c2cccc(F)n2)C(c2ccc(F)cc2)=N1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is SGEWGBBBMCLVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F5N4O2/c24-15-6-4-14(5-7-15)22-18(19-2-1-3-20(25)30-19)12-32(31-22)13-21(33)29-16-8-10-17(11-9-16)34-23(26,27)28/h1-11,18H,12-13H2,(H,29,33).
What are the key properties of 2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 476.41 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 139628072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).