N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-fluorobenzamide

C17H10ClF4N3O — CID 21105216

IUPACN-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-fluorobenzamide
SMILESO=C(Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C17H10ClF4N3O/c18-11-4-6-13(7-5-11)25-15(17(20,21)22)14(9-23-25)24-16(26)10-2-1-3-12(19)8-10/h1-9H,(H,24,26)
InChIKeyHWOUHCNBQWQSAI-UHFFFAOYSA-N
MW383.73 g/mol
LogP4.94
Rot. Bonds3

About N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-fluorobenzamide

N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-fluorobenzamide (PubChem CID 21105216) has the molecular formula C17H10ClF4N3O and a molecular weight of 383.73 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-fluorobenzamide
PubChem CID21105216
Molecular FormulaC17H10ClF4N3O
Molecular Weight383.73 g/mol
Exact Mass383.04
IUPAC NameN-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-fluorobenzamide
SMILESO=C(Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C17H10ClF4N3O/c18-11-4-6-13(7-5-11)25-15(17(20,21)22)14(9-23-25)24-16(26)10-2-1-3-12(19)8-10/h1-9H,(H,24,26)
InChIKeyHWOUHCNBQWQSAI-UHFFFAOYSA-N
XLogP4.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.73
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18228961
1-(3-chlorophenyl)-3-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]urea
CID 21105015
1-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3,4-dichlorophenyl)urea
CID 21104983
N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-methylpiperazine-1-carboxamide
CID 91507780
1-(4-chlorophenyl)-N-[3-(cyclopropylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46691330
1-(4-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91039946
N-(3-acetamidophenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18270790
[3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]boronic acid
CID 58866199
N-[3-(carbamoylamino)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91135448
1-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18226723
N'-(4-chlorobenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide
CID 24663557
N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 158162896

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-fluorobenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-fluorobenzamide (CID 21105216) is N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-fluorobenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-fluorobenzamide is O=C(Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1cccc(F)c1.
What is the InChIKey of N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-fluorobenzamide?
The InChIKey is HWOUHCNBQWQSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF4N3O/c18-11-4-6-13(7-5-11)25-15(17(20,21)22)14(9-23-25)24-16(26)10-2-1-3-12(19)8-10/h1-9H,(H,24,26).
What are the key properties of N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-fluorobenzamide?
N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-fluorobenzamide has a molecular weight of 383.73 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-fluorobenzamide is sourced from PubChem (CID 21105216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).