N-[(2-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C18H21F4N5O — CID 90120738

IUPACN-[(2-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCNCC1)Cc1ccccc1F
InChIInChI=1S/C18H21F4N5O/c19-14-4-2-1-3-13(14)12-27(10-9-26-7-5-23-6-8-26)17(28)15-11-16(25-24-15)18(20,21)22/h1-4,11,23H,5-10,12H2,(H,24,25)
InChIKeyFDGGYSOCIQBFPM-UHFFFAOYSA-N
MW399.39 g/mol
LogP2.12
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[(2-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 90120738) has the molecular formula C18H21F4N5O and a molecular weight of 399.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID90120738
Molecular FormulaC18H21F4N5O
Molecular Weight399.39 g/mol
Exact Mass399.17
IUPAC NameN-[(2-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCNCC1)Cc1ccccc1F
InChIInChI=1S/C18H21F4N5O/c19-14-4-2-1-3-13(14)12-27(10-9-26-7-5-23-6-8-26)17(28)15-11-16(25-24-15)18(20,21)22/h1-4,11,23H,5-10,12H2,(H,24,25)
InChIKeyFDGGYSOCIQBFPM-UHFFFAOYSA-N
XLogP2.12
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-fluorophenyl)methyl]-N-[2-(1-methylsulfinylpiperidin-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 130313304
N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-5-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 118552891
N-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 144610886
N-[(2-amino-6-chlorophenyl)methyl]-N-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120808
N-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120827
N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 118552874
N-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120721
N-[2-(azepan-1-yl)ethyl]-N-[(2-chloro-4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-N-[2-[ethyl(propyl)amino]ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 157083210
N-[(2-cyanophenyl)methyl]-N-(oxetan-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120814
tert-butyl 4-[[cyclobutylmethyl-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]methyl]-2,3-dihydroindole-1-carboxylate
CID 90102344
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344
1-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)triazole-4-carboxamide;hydrochloride
CID 119448075

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 90120738) is N-[(2-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(c1cc(C(F)(F)F)[nH]n1)N(CCN1CCNCC1)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is FDGGYSOCIQBFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F4N5O/c19-14-4-2-1-3-13(14)12-27(10-9-26-7-5-23-6-8-26)17(28)15-11-16(25-24-15)18(20,21)22/h1-4,11,23H,5-10,12H2,(H,24,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[(2-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 399.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90120738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).