N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-hydroxybenzamide

C18H11F6N3O2 — CID 10112515

IUPACN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccccc1O
InChIInChI=1S/C18H11F6N3O2/c19-17(20,21)14-9-15(18(22,23)24)27(26-14)11-7-5-10(6-8-11)25-16(29)12-3-1-2-4-13(12)28/h1-9,28H,(H,25,29)
InChIKeyOHLPXXDPQQNTLP-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.87
Rot. Bonds3

About N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-hydroxybenzamide

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-hydroxybenzamide (PubChem CID 10112515) has the molecular formula C18H11F6N3O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-hydroxybenzamide
PubChem CID10112515
Molecular FormulaC18H11F6N3O2
Molecular Weight415.29 g/mol
Exact Mass415.08
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccccc1O
InChIInChI=1S/C18H11F6N3O2/c19-17(20,21)14-9-15(18(22,23)24)27(26-14)11-7-5-10(6-8-11)25-16(29)12-3-1-2-4-13(12)28/h1-9,28H,(H,25,29)
InChIKeyOHLPXXDPQQNTLP-UHFFFAOYSA-N
XLogP4.87
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}benzamide
CID 1509888
N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-hydroxybenzohydrazide
CID 6890194
Salicylamide, N-(3-methyl-1-phenyl-5-pyrazolyl)-
CID 355582
N-({4-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}carbamoyl)-2-methoxybenzamide
CID 1509305
2-({4-[3,5-di(trifluoromethyl)-1H-pyrazol-1-yl]anilino}carbonyl)benzoic acid
CID 2740833
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethoxy)benzamide
CID 2741276
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-hydroxybenzamide
CID 22479750
(3,5-Dimethylpyrazol-1-yl)-(2-hydroxyphenyl)methanone
CID 966614
N-(2,5-Diphenyl-2H-pyrazol-3-yl)-2-hydroxy-benzamide
CID 11175693
[5-(2,4-Difluorophenyl)-2-hydroxyphenyl]-(3,5-dimethylpyrazol-1-yl)methanone
CID 145964094
1-phenyl-5-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)-1H-pyrazole-3-carboxylic acid
CID 135406155
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-hydroxybenzamide
CID 10136566

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-hydroxybenzamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-hydroxybenzamide (CID 10112515) is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-hydroxybenzamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-hydroxybenzamide is O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccccc1O.
What is the InChIKey of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-hydroxybenzamide?
The InChIKey is OHLPXXDPQQNTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6N3O2/c19-17(20,21)14-9-15(18(22,23)24)27(26-14)11-7-5-10(6-8-11)25-16(29)12-3-1-2-4-13(12)28/h1-9,28H,(H,25,29).
What are the key properties of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-hydroxybenzamide?
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-hydroxybenzamide has a molecular weight of 415.29 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 10112515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).