5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide

C19H15F4N3O2 — CID 24661008

IUPAC5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H15F4N3O2/c1-26(11-13-4-2-3-5-16(13)28-19(21,22)23)18(27)15-10-24-25-17(15)12-6-8-14(20)9-7-12/h2-10H,11H2,1H3,(H,24,25)
InChIKeyYXVYBWGNMXNHEG-UHFFFAOYSA-N
MW393.34 g/mol
LogP4.39
Rot. Bonds5

About 5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide

5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 24661008) has the molecular formula C19H15F4N3O2 and a molecular weight of 393.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID24661008
Molecular FormulaC19H15F4N3O2
Molecular Weight393.34 g/mol
Exact Mass393.11
IUPAC Name5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H15F4N3O2/c1-26(11-13-4-2-3-5-16(13)28-19(21,22)23)18(27)15-10-24-25-17(15)12-6-8-14(20)9-7-12/h2-10H,11H2,1H3,(H,24,25)
InChIKeyYXVYBWGNMXNHEG-UHFFFAOYSA-N
XLogP4.39
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 55958422
7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide
CID 55608409
2-(2-methoxyethoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55997231
N-(3-amino-2,2-dimethylpropyl)-5-(4-fluorophenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 119656770
5-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 55550717
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4-dimethylpyridine-3-carboxamide
CID 46982592
N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 134047601
5-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 78834249
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
4-acetyl-N,3,5-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 38258314
N-methyl-2-(thiophene-2-carbonyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38274579
2-(difluoromethylsulfanyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 55548799

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide (CID 24661008) is 5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide is CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is YXVYBWGNMXNHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O2/c1-26(11-13-4-2-3-5-16(13)28-19(21,22)23)18(27)15-10-24-25-17(15)12-6-8-14(20)9-7-12/h2-10H,11H2,1H3,(H,24,25).
What are the key properties of 5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide?
5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 393.34 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 24661008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).