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

C18H14F3N3O3 — CID 156574684

IUPACN-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESO=C(NCc1cc(-c2ccccc2O)n[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)27-16-8-4-2-6-13(16)17(26)22-10-11-9-14(24-23-11)12-5-1-3-7-15(12)25/h1-9,25H,10H2,(H,22,26)(H,23,24)
InChIKeyKPTFGUYQUFEYPS-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.61
Rot. Bonds5

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

N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (PubChem CID 156574684) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
PubChem CID156574684
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC NameN-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESO=C(NCc1cc(-c2ccccc2O)n[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)27-16-8-4-2-6-13(16)17(26)22-10-11-9-14(24-23-11)12-5-1-3-7-15(12)25/h1-9,25H,10H2,(H,22,26)(H,23,24)
InChIKeyKPTFGUYQUFEYPS-UHFFFAOYSA-N
XLogP3.61
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (CID 156574684) is N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is O=C(NCc1cc(-c2ccccc2O)n[nH]1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is KPTFGUYQUFEYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c19-18(20,21)27-16-8-4-2-6-13(16)17(26)22-10-11-9-14(24-23-11)12-5-1-3-7-15(12)25/h1-9,25H,10H2,(H,22,26)(H,23,24).
What are the key properties of N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 377.32 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 156574684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).