1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C15H15ClF3N3O2 — CID 78854945

IUPAC1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F
InChIInChI=1S/C15H15ClF3N3O2/c1-2-21(6-7-23)14(24)12-9-20-22(13(12)15(17,18)19)11-5-3-4-10(16)8-11/h3-5,8-9,23H,2,6-7H2,1H3
InChIKeyFTFLBKRFXRVXDY-UHFFFAOYSA-N
MW361.75 g/mol
LogP3.00
Rot. Bonds5

About 1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 78854945) has the molecular formula C15H15ClF3N3O2 and a molecular weight of 361.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID78854945
Molecular FormulaC15H15ClF3N3O2
Molecular Weight361.75 g/mol
Exact Mass361.08
IUPAC Name1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F
InChIInChI=1S/C15H15ClF3N3O2/c1-2-21(6-7-23)14(24)12-9-20-22(13(12)15(17,18)19)11-5-3-4-10(16)8-11/h3-5,8-9,23H,2,6-7H2,1H3
InChIKeyFTFLBKRFXRVXDY-UHFFFAOYSA-N
XLogP3.00
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 42817677
1-(3-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55899479
1-(3-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 32535150
1-(3-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 33123277
1-(3-chlorophenyl)-N-[2-(3-chlorophenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46642923
1-(3-chlorophenyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134056389
1-(3-chlorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 52817908
N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 71908614
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55465647
1-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 33207160
1-(3-chlorophenyl)-5-(trifluoromethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 33331621
methyl 4-[2-[[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]benzoate
CID 33248556

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 78854945) is 1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is CCN(CCO)C(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F.
What is the InChIKey of 1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is FTFLBKRFXRVXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O2/c1-2-21(6-7-23)14(24)12-9-20-22(13(12)15(17,18)19)11-5-3-4-10(16)8-11/h3-5,8-9,23H,2,6-7H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 361.75 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 78854945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).