N-[[3-(4-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide

C18H13F4N3O3 — CID 166635995

IUPACN-[[3-(4-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2O)n[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C18H13F4N3O3/c19-10-5-6-12(15(26)7-10)14-8-11(24-25-14)9-23-17(27)13-3-1-2-4-16(13)28-18(20,21)22/h1-8,26H,9H2,(H,23,27)(H,24,25)
InChIKeyUCRVWZMWOYQJJO-UHFFFAOYSA-N
MW395.31 g/mol
LogP3.75
Rot. Bonds5

About N-[[3-(4-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide

N-[[3-(4-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (PubChem CID 166635995) has the molecular formula C18H13F4N3O3 and a molecular weight of 395.31 g/mol. Its IUPAC name is N-[[3-(4-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[3-(4-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
PubChem CID166635995
Molecular FormulaC18H13F4N3O3
Molecular Weight395.31 g/mol
Exact Mass395.09
IUPAC NameN-[[3-(4-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2O)n[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C18H13F4N3O3/c19-10-5-6-12(15(26)7-10)14-8-11(24-25-14)9-23-17(27)13-3-1-2-4-16(13)28-18(20,21)22/h1-8,26H,9H2,(H,23,27)(H,24,25)
InChIKeyUCRVWZMWOYQJJO-UHFFFAOYSA-N
XLogP3.75
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-hydroxy-3,5-dimethylphenyl)-N-(4-methoxybenzyl)-1H-pyrazole-3-carboxamide
CID 2031826
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide
CID 1872467
5-(2-hydroxyphenyl)-N-(4-methoxybenzyl)-1H-pyrazole-3-carboxamide
CID 666046
N-benzyl-5-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
CID 1845769
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1851874
(5E)-N-benzyl-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
CID 1858274
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
CID 1944533
1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(2-methoxybenzoyl)piperazine
CID 16191501
N-(cyclohexylmethyl)-3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 49778626
N-[(4-fluorophenyl)methyl]-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 49790685
3-(5-fluoro-2-propoxyphenyl)-N-phenyl-1H-pyrazole-5-carboxamide
CID 49792140
N-[2-(1-cyclohexen-1-yl)ethyl]-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 136227368

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[3-(4-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (CID 166635995) is N-[[3-(4-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[3-(4-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[3-(4-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is O=C(NCc1cc(-c2ccc(F)cc2O)n[nH]1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[[3-(4-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is UCRVWZMWOYQJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O3/c19-10-5-6-12(15(26)7-10)14-8-11(24-25-14)9-23-17(27)13-3-1-2-4-16(13)28-18(20,21)22/h1-8,26H,9H2,(H,23,27)(H,24,25).
What are the key properties of N-[[3-(4-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
N-[[3-(4-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 395.31 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 166635995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).