N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide

C18H15F3N4O2 — CID 71807859

IUPACN-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCCn1ccc(-c2ccncc2)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)27-15-3-1-14(2-4-15)17(26)23-10-12-25-11-7-16(24-25)13-5-8-22-9-6-13/h1-9,11H,10,12H2,(H,23,26)
InChIKeyMCQOANXTEOCAGF-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.27
Rot. Bonds6

About N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide

N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 71807859) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
PubChem CID71807859
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCCn1ccc(-c2ccncc2)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)27-15-3-1-14(2-4-15)17(26)23-10-12-25-11-7-16(24-25)13-5-8-22-9-6-13/h1-9,11H,10,12H2,(H,23,26)
InChIKeyMCQOANXTEOCAGF-UHFFFAOYSA-N
XLogP3.27
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide (CID 71807859) is N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide is O=C(NCCn1ccc(-c2ccncc2)n1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is MCQOANXTEOCAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c19-18(20,21)27-15-3-1-14(2-4-15)17(26)23-10-12-25-11-7-16(24-25)13-5-8-22-9-6-13/h1-9,11H,10,12H2,(H,23,26).
What are the key properties of N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide?
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 376.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 71807859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).