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

C18H11F6N3O2 — CID 10201909

IUPACN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-hydroxybenzamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cccc(O)c1
InChIInChI=1S/C18H11F6N3O2/c19-17(20,21)14-9-15(18(22,23)24)27(26-14)12-6-4-11(5-7-12)25-16(29)10-2-1-3-13(28)8-10/h1-9,28H,(H,25,29)
InChIKeyAKWBOJSNDIKNEO-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.87
Rot. Bonds3

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

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-hydroxybenzamide (PubChem CID 10201909) 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]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-hydroxybenzamide
PubChem CID10201909
Molecular FormulaC18H11F6N3O2
Molecular Weight415.29 g/mol
Exact Mass415.08
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-hydroxybenzamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cccc(O)c1
InChIInChI=1S/C18H11F6N3O2/c19-17(20,21)14-9-15(18(22,23)24)27(26-14)12-6-4-11(5-7-12)25-16(29)10-2-1-3-13(28)8-10/h1-9,28H,(H,25,29)
InChIKeyAKWBOJSNDIKNEO-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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Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-hydroxybenzamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-hydroxybenzamide (CID 10201909) is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-hydroxybenzamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-hydroxybenzamide is O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cccc(O)c1.
What is the InChIKey of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-hydroxybenzamide?
The InChIKey is AKWBOJSNDIKNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6N3O2/c19-17(20,21)14-9-15(18(22,23)24)27(26-14)12-6-4-11(5-7-12)25-16(29)10-2-1-3-13(28)8-10/h1-9,28H,(H,25,29).
What are the key properties of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-hydroxybenzamide?
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-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]-3-hydroxybenzamide is sourced from PubChem (CID 10201909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).