2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide

C17H18F3N3O3 — CID 4766349

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc1OC
InChIInChI=1S/C17H18F3N3O3/c1-25-13-6-5-11(7-14(13)26-2)21-16(24)9-23-12(10-3-4-10)8-15(22-23)17(18,19)20/h5-8,10H,3-4,9H2,1-2H3,(H,21,24)
InChIKeyJNGCCQOCVVOQBS-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.44
Rot. Bonds6

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 4766349) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID4766349
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc1OC
InChIInChI=1S/C17H18F3N3O3/c1-25-13-6-5-11(7-14(13)26-2)21-16(24)9-23-12(10-3-4-10)8-15(22-23)17(18,19)20/h5-8,10H,3-4,9H2,1-2H3,(H,21,24)
InChIKeyJNGCCQOCVVOQBS-UHFFFAOYSA-N
XLogP3.44
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.44
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-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide (CID 4766349) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc1OC.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is JNGCCQOCVVOQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-25-13-6-5-11(7-14(13)26-2)21-16(24)9-23-12(10-3-4-10)8-15(22-23)17(18,19)20/h5-8,10H,3-4,9H2,1-2H3,(H,21,24).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 369.34 g/mol, XLogP of 3.44, 6 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-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 4766349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).