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

C16H19BrF3N5O — CID 19575604

IUPAC2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
SMILESCCn1nc(C)c(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C2CC2)c1C
InChIInChI=1S/C16H19BrF3N5O/c1-4-24-9(3)13(8(2)22-24)21-11(26)7-25-14(10-5-6-10)12(17)15(23-25)16(18,19)20/h10H,4-7H2,1-3H3,(H,21,26)
InChIKeyYZDMASLCWBZUIS-UHFFFAOYSA-N
MW434.26 g/mol
LogP4.01
Rot. Bonds5

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

2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide (PubChem CID 19575604) has the molecular formula C16H19BrF3N5O and a molecular weight of 434.26 g/mol. Its IUPAC name is 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
PubChem CID19575604
Molecular FormulaC16H19BrF3N5O
Molecular Weight434.26 g/mol
Exact Mass433.07
IUPAC Name2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
SMILESCCn1nc(C)c(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C2CC2)c1C
InChIInChI=1S/C16H19BrF3N5O/c1-4-24-9(3)13(8(2)22-24)21-11(26)7-25-14(10-5-6-10)12(17)15(23-25)16(18,19)20/h10H,4-7H2,1-3H3,(H,21,26)
InChIKeyYZDMASLCWBZUIS-UHFFFAOYSA-N
XLogP4.01
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.26
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide (CID 19575604) is 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide is CCn1nc(C)c(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C2CC2)c1C.
What is the InChIKey of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
The InChIKey is YZDMASLCWBZUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrF3N5O/c1-4-24-9(3)13(8(2)22-24)21-11(26)7-25-14(10-5-6-10)12(17)15(23-25)16(18,19)20/h10H,4-7H2,1-3H3,(H,21,26).
What are the key properties of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide has a molecular weight of 434.26 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 19575604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).