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

C15H18F3N5O — CID 843910

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]acetamide
SMILESCCn1cc(CNC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cn1
InChIInChI=1S/C15H18F3N5O/c1-2-22-8-10(7-20-22)6-19-14(24)9-23-12(11-3-4-11)5-13(21-23)15(16,17)18/h5,7-8,11H,2-4,6,9H2,1H3,(H,19,24)
InChIKeyHLXOFBXYRVKYNW-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.31
Rot. Bonds6

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

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]acetamide (PubChem CID 843910) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]acetamide
PubChem CID843910
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]acetamide
SMILESCCn1cc(CNC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cn1
InChIInChI=1S/C15H18F3N5O/c1-2-22-8-10(7-20-22)6-19-14(24)9-23-12(11-3-4-11)5-13(21-23)15(16,17)18/h5,7-8,11H,2-4,6,9H2,1H3,(H,19,24)
InChIKeyHLXOFBXYRVKYNW-UHFFFAOYSA-N
XLogP2.31
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.31
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-[(1-ethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]acetamide (CID 843910) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]acetamide is CCn1cc(CNC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cn1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is HLXOFBXYRVKYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-2-22-8-10(7-20-22)6-19-14(24)9-23-12(11-3-4-11)5-13(21-23)15(16,17)18/h5,7-8,11H,2-4,6,9H2,1H3,(H,19,24).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 341.34 g/mol, XLogP of 2.31, 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-[(1-ethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 843910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).