N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide

C22H21F4N3O3 — CID 166010500

IUPACN-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(Cc1ccccc1F)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H21F4N3O3/c1-28-20(10-11-27-28)21(31)29(12-15-4-2-3-5-19(15)23)13-17(30)14-32-18-8-6-16(7-9-18)22(24,25)26/h2-11,17,30H,12-14H2,1H3
InChIKeyNBRMJWVQMGGDDR-UHFFFAOYSA-N
MW451.42 g/mol
LogP3.66
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide

N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide (PubChem CID 166010500) has the molecular formula C22H21F4N3O3 and a molecular weight of 451.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide
PubChem CID166010500
Molecular FormulaC22H21F4N3O3
Molecular Weight451.42 g/mol
Exact Mass451.15
IUPAC NameN-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(Cc1ccccc1F)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H21F4N3O3/c1-28-20(10-11-27-28)21(31)29(12-15-4-2-3-5-19(15)23)13-17(30)14-32-18-8-6-16(7-9-18)22(24,25)26/h2-11,17,30H,12-14H2,1H3
InChIKeyNBRMJWVQMGGDDR-UHFFFAOYSA-N
XLogP3.66
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-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

4-fluoro-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 162642917
5-[2-(2-Hydroxyethoxy)ethyl]-2,6-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53308341
5-[2-(2-Hydroxyethoxy)ethyl]-2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 56666577
5-[2-(2-Hydroxyethoxy)ethyl]-6-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 56673496
1-methyl-N-[4-(4-methylphenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]pyrazole-3-carboxamide
CID 122362846
1-benzyl-4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 130299021
US11401270, Example 145
CID 142566990
N-{2-[2-(4-Ethoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}-3,4-difluorobenzamide
CID 91892750
1-Ethyl-5-{3-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carbonyl}-1H-pyrazole
CID 91919961
(7R)-5-(4-fluorophenyl)-7-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190325
N-[2-(4-ethoxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide
CID 57527737
N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2-methylpyrazole-3-carboxamide
CID 90335213

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide (CID 166010500) is N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)N(Cc1ccccc1F)CC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is NBRMJWVQMGGDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N3O3/c1-28-20(10-11-27-28)21(31)29(12-15-4-2-3-5-19(15)23)13-17(30)14-32-18-8-6-16(7-9-18)22(24,25)26/h2-11,17,30H,12-14H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide?
N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 451.42 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166010500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).