N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide

C17H18F3N3O3 — CID 90622320

IUPACN-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cnn(CC2CCOCC2)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H18F3N3O3/c18-17(19,20)26-15-4-2-1-3-14(15)16(24)22-13-9-21-23(11-13)10-12-5-7-25-8-6-12/h1-4,9,11-12H,5-8,10H2,(H,22,24)
InChIKeyNWXPBAKOSTZZGB-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.46
Rot. Bonds5

About N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide

N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide (PubChem CID 90622320) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide
PubChem CID90622320
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC NameN-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cnn(CC2CCOCC2)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H18F3N3O3/c18-17(19,20)26-15-4-2-1-3-14(15)16(24)22-13-9-21-23(11-13)10-12-5-7-25-8-6-12/h1-4,9,11-12H,5-8,10H2,(H,22,24)
InChIKeyNWXPBAKOSTZZGB-UHFFFAOYSA-N
XLogP3.46
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide (CID 90622320) is N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide is O=C(Nc1cnn(CC2CCOCC2)c1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide?
The InChIKey is NWXPBAKOSTZZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c18-17(19,20)26-15-4-2-1-3-14(15)16(24)22-13-9-21-23(11-13)10-12-5-7-25-8-6-12/h1-4,9,11-12H,5-8,10H2,(H,22,24).
What are the key properties of N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide?
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide has a molecular weight of 369.34 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 90622320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).