N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide

C19H16F3N3O3 — CID 163547227

IUPACN-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESCc1ccc(O)c(-c2cc(CNC(=O)c3ccccc3OC(F)(F)F)[nH]n2)c1
InChIInChI=1S/C19H16F3N3O3/c1-11-6-7-16(26)14(8-11)15-9-12(24-25-15)10-23-18(27)13-4-2-3-5-17(13)28-19(20,21)22/h2-9,26H,10H2,1H3,(H,23,27)(H,24,25)
InChIKeyDXZMYQPZIDKUFH-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.92
Rot. Bonds5

About N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide

N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (PubChem CID 163547227) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
PubChem CID163547227
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC NameN-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESCc1ccc(O)c(-c2cc(CNC(=O)c3ccccc3OC(F)(F)F)[nH]n2)c1
InChIInChI=1S/C19H16F3N3O3/c1-11-6-7-16(26)14(8-11)15-9-12(24-25-15)10-23-18(27)13-4-2-3-5-17(13)28-19(20,21)22/h2-9,26H,10H2,1H3,(H,23,27)(H,24,25)
InChIKeyDXZMYQPZIDKUFH-UHFFFAOYSA-N
XLogP3.92
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
CID 156574687
N-[[3-(4-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
CID 166635995
ethane;N-[[3-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
CID 156804938
2-(trifluoromethoxy)-N-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-1H-pyrazol-5-yl]methyl]benzamide
CID 163538527
ethane;N-[[3-(5-fluoro-2-propoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
CID 156804936
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide
CID 75515842
N-benzyl-2-(trifluoromethoxy)benzamide
CID 174848356
3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 25357745
5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide
CID 156574677
[4-[[[2-(trifluoromethoxy)benzoyl]amino]methyl]phenyl]boronic acid
CID 140784412
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide
CID 122317868
N-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 2039802

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (CID 163547227) is N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is Cc1ccc(O)c(-c2cc(CNC(=O)c3ccccc3OC(F)(F)F)[nH]n2)c1.
What is the InChIKey of N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is DXZMYQPZIDKUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-11-6-7-16(26)14(8-11)15-9-12(24-25-15)10-23-18(27)13-4-2-3-5-17(13)28-19(20,21)22/h2-9,26H,10H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 391.35 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 163547227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).