2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide

C18H20F3N3O3 — CID 998374

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc(OC)c1
InChIInChI=1S/C18H20F3N3O3/c1-26-13-5-11(6-14(7-13)27-2)9-22-17(25)10-24-15(12-3-4-12)8-16(23-24)18(19,20)21/h5-8,12H,3-4,9-10H2,1-2H3,(H,22,25)
InChIKeyXVSUMVPEDVLILZ-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.11
Rot. Bonds7

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide (PubChem CID 998374) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide
PubChem CID998374
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc(OC)c1
InChIInChI=1S/C18H20F3N3O3/c1-26-13-5-11(6-14(7-13)27-2)9-22-17(25)10-24-15(12-3-4-12)8-16(23-24)18(19,20)21/h5-8,12H,3-4,9-10H2,1-2H3,(H,22,25)
InChIKeyXVSUMVPEDVLILZ-UHFFFAOYSA-N
XLogP3.11
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide (CID 998374) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc(OC)c1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide?
The InChIKey is XVSUMVPEDVLILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-26-13-5-11(6-14(7-13)27-2)9-22-17(25)10-24-15(12-3-4-12)8-16(23-24)18(19,20)21/h5-8,12H,3-4,9-10H2,1-2H3,(H,22,25).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide has a molecular weight of 383.37 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 998374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).