2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide

C24H17ClF3N3O2 — CID 16572214

IUPAC2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C24H17ClF3N3O2/c25-18-12-10-16(11-13-18)23-17(15-31(30-23)19-6-2-1-3-7-19)14-22(32)29-20-8-4-5-9-21(20)33-24(26,27)28/h1-13,15H,14H2,(H,29,32)
InChIKeyOGQCLQGTMSTCOC-UHFFFAOYSA-N
MW471.87 g/mol
LogP6.27
Rot. Bonds6

About 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide

2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide (PubChem CID 16572214) has the molecular formula C24H17ClF3N3O2 and a molecular weight of 471.87 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide
PubChem CID16572214
Molecular FormulaC24H17ClF3N3O2
Molecular Weight471.87 g/mol
Exact Mass471.10
IUPAC Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C24H17ClF3N3O2/c25-18-12-10-16(11-13-18)23-17(15-31(30-23)19-6-2-1-3-7-19)14-22(32)29-20-8-4-5-9-21(20)33-24(26,27)28/h1-13,15H,14H2,(H,29,32)
InChIKeyOGQCLQGTMSTCOC-UHFFFAOYSA-N
XLogP6.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.87
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 67048003
CID 67048003
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 9162963
N-(2-acetamidoethyl)-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 17440547
3-[4-[[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]phenoxy]propanamide
CID 55839730
[2-oxo-2-(propan-2-ylamino)ethyl] 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetate
CID 9128848
ethyl N-[2-[[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]ethyl]carbamate
CID 56557496
2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide
CID 167935958
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 86945803
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide
CID 47014475
3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19509375
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 20542672

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide (CID 16572214) is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is OGQCLQGTMSTCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N3O2/c25-18-12-10-16(11-13-18)23-17(15-31(30-23)19-6-2-1-3-7-19)14-22(32)29-20-8-4-5-9-21(20)33-24(26,27)28/h1-13,15H,14H2,(H,29,32).
What are the key properties of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide?
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 471.87 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 16572214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).