2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C27H20ClF3N4O2 — CID 139628114

IUPAC2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CC(c2cnc3cc(Cl)ccc3c2)C(c2ccccc2)=N1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C27H20ClF3N4O2/c28-20-7-6-18-12-19(14-32-24(18)13-20)23-15-35(34-26(23)17-4-2-1-3-5-17)16-25(36)33-21-8-10-22(11-9-21)37-27(29,30)31/h1-14,23H,15-16H2,(H,33,36)
InChIKeyXOAODYZSPMEGOL-UHFFFAOYSA-N
MW524.93 g/mol
LogP6.23
Rot. Bonds6

About 2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 139628114) has the molecular formula C27H20ClF3N4O2 and a molecular weight of 524.93 g/mol. Its IUPAC name is 2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID139628114
Molecular FormulaC27H20ClF3N4O2
Molecular Weight524.93 g/mol
Exact Mass524.12
IUPAC Name2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CC(c2cnc3cc(Cl)ccc3c2)C(c2ccccc2)=N1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C27H20ClF3N4O2/c28-20-7-6-18-12-19(14-32-24(18)13-20)23-15-35(34-26(23)17-4-2-1-3-5-17)16-25(36)33-21-8-10-22(11-9-21)37-27(29,30)31/h1-14,23H,15-16H2,(H,33,36)
InChIKeyXOAODYZSPMEGOL-UHFFFAOYSA-N
XLogP6.23
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.93
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 139628110
2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 139656682
2-[5-(4-fluorophenyl)-4-(6-fluoro-2-pyridinyl)-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 139628072
N-[4-(trifluoromethoxy)phenyl]-2-[5-[4-(trifluoromethoxy)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide
CID 139628081
methyl 4-[[2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]acetyl]amino]benzoate
CID 139656451
2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-nitrophenyl)acetamide
CID 139656354
methyl N-[5-(4-chlorophenyl)-2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-3,4-dihydropyrazol-4-yl]-N-prop-2-ynylcarbamate
CID 139633786
5-phenyl-4-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18987670
N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide
CID 139628128
2-[4-[2-(3-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29164778
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide
CID 139656805
5-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazole-2-carboxamide
CID 18987687

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 139628114) is 2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CN1CC(c2cnc3cc(Cl)ccc3c2)C(c2ccccc2)=N1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is XOAODYZSPMEGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClF3N4O2/c28-20-7-6-18-12-19(14-32-24(18)13-20)23-15-35(34-26(23)17-4-2-1-3-5-17)16-25(36)33-21-8-10-22(11-9-21)37-27(29,30)31/h1-14,23H,15-16H2,(H,33,36).
What are the key properties of 2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 524.93 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 139628114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).