N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[2-(oxolan-3-yloxy)phenyl]acetamide

C17H18F3N3O3 — CID 138037176

IUPACN-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[2-(oxolan-3-yloxy)phenyl]acetamide
SMILESCn1nc(C(F)(F)F)cc1NC(=O)Cc1ccccc1OC1CCOC1
InChIInChI=1S/C17H18F3N3O3/c1-23-15(9-14(22-23)17(18,19)20)21-16(24)8-11-4-2-3-5-13(11)26-12-6-7-25-10-12/h2-5,9,12H,6-8,10H2,1H3,(H,21,24)
InChIKeyDHBSJDARULHXKS-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.79
Rot. Bonds5

About N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[2-(oxolan-3-yloxy)phenyl]acetamide

N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[2-(oxolan-3-yloxy)phenyl]acetamide (PubChem CID 138037176) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[2-(oxolan-3-yloxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[2-(oxolan-3-yloxy)phenyl]acetamide
PubChem CID138037176
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC NameN-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[2-(oxolan-3-yloxy)phenyl]acetamide
SMILESCn1nc(C(F)(F)F)cc1NC(=O)Cc1ccccc1OC1CCOC1
InChIInChI=1S/C17H18F3N3O3/c1-23-15(9-14(22-23)17(18,19)20)21-16(24)8-11-4-2-3-5-13(11)26-12-6-7-25-10-12/h2-5,9,12H,6-8,10H2,1H3,(H,21,24)
InChIKeyDHBSJDARULHXKS-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[2-(oxolan-3-yloxy)phenyl]acetamide?
The IUPAC name of N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[2-(oxolan-3-yloxy)phenyl]acetamide (CID 138037176) is N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[2-(oxolan-3-yloxy)phenyl]acetamide.
What is the SMILES notation for N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[2-(oxolan-3-yloxy)phenyl]acetamide?
The canonical SMILES for N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[2-(oxolan-3-yloxy)phenyl]acetamide is Cn1nc(C(F)(F)F)cc1NC(=O)Cc1ccccc1OC1CCOC1.
What is the InChIKey of N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[2-(oxolan-3-yloxy)phenyl]acetamide?
The InChIKey is DHBSJDARULHXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-23-15(9-14(22-23)17(18,19)20)21-16(24)8-11-4-2-3-5-13(11)26-12-6-7-25-10-12/h2-5,9,12H,6-8,10H2,1H3,(H,21,24).
What are the key properties of N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[2-(oxolan-3-yloxy)phenyl]acetamide?
N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[2-(oxolan-3-yloxy)phenyl]acetamide has a molecular weight of 369.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-[2-(oxolan-3-yloxy)phenyl]acetamide is sourced from PubChem (CID 138037176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).