N-[3-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-(4-chlorophenyl)acetamide

C19H12ClF6N3O — CID 54028580

IUPACN-[3-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)c1
InChIInChI=1S/C19H12ClF6N3O/c20-12-6-4-11(5-7-12)8-17(30)27-13-2-1-3-14(9-13)29-16(19(24,25)26)10-15(28-29)18(21,22)23/h1-7,9-10H,8H2,(H,27,30)
InChIKeyLDYLRHCQUPTBFH-UHFFFAOYSA-N
MW447.77 g/mol
LogP5.74
Rot. Bonds4

About N-[3-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-(4-chlorophenyl)acetamide

N-[3-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-(4-chlorophenyl)acetamide (PubChem CID 54028580) has the molecular formula C19H12ClF6N3O and a molecular weight of 447.77 g/mol. Its IUPAC name is N-[3-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-(4-chlorophenyl)acetamide
PubChem CID54028580
Molecular FormulaC19H12ClF6N3O
Molecular Weight447.77 g/mol
Exact Mass447.06
IUPAC NameN-[3-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)c1
InChIInChI=1S/C19H12ClF6N3O/c20-12-6-4-11(5-7-12)8-17(30)27-13-2-1-3-14(9-13)29-16(19(24,25)26)10-15(28-29)18(21,22)23/h1-7,9-10H,8H2,(H,27,30)
InChIKeyLDYLRHCQUPTBFH-UHFFFAOYSA-N
XLogP5.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.77
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 7294904
N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(3,5-difluoro-4-hydroxyphenyl)acetamide
CID 87087896
[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 87723682
2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108998161
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluorobenzamide
CID 10202049
4-[2-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-methylamino]-2-oxoethyl]-N-(4-fluorophenyl)benzamide
CID 70816993
2-(4-chlorophenyl)-N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]acetohydrazide
CID 55702683
N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 843342
N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
CID 123328677
1-(3-chlorophenyl)-3-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
CID 86344311

Frequently Asked Questions

What is the IUPAC name of N-[3-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[3-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-(4-chlorophenyl)acetamide (CID 54028580) is N-[3-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[3-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[3-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1cccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)c1.
What is the InChIKey of N-[3-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is LDYLRHCQUPTBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF6N3O/c20-12-6-4-11(5-7-12)8-17(30)27-13-2-1-3-14(9-13)29-16(19(24,25)26)10-15(28-29)18(21,22)23/h1-7,9-10H,8H2,(H,27,30).
What are the key properties of N-[3-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-(4-chlorophenyl)acetamide?
N-[3-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 447.77 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 54028580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).