2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide

C12H16F3N3O — CID 4116900

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H16F3N3O/c1-2-5-16-11(19)7-18-9(8-3-4-8)6-10(17-18)12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,19)
InChIKeyYVLASWAYNXALBH-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.31
Rot. Bonds5

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide (PubChem CID 4116900) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
PubChem CID4116900
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H16F3N3O/c1-2-5-16-11(19)7-18-9(8-3-4-8)6-10(17-18)12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,19)
InChIKeyYVLASWAYNXALBH-UHFFFAOYSA-N
XLogP2.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide (CID 4116900) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide is CCCNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide?
The InChIKey is YVLASWAYNXALBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-2-5-16-11(19)7-18-9(8-3-4-8)6-10(17-18)12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,19).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide has a molecular weight of 275.27 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide is sourced from PubChem (CID 4116900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).