1-[2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-3-pyridinyl]ethanone

C17H18F3N3O2 — CID 134393453

IUPAC1-[2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)nc1C
InChIInChI=1S/C17H18F3N3O2/c1-11-13(12(2)24)3-4-14(21-11)23-9-5-15(22-23)25-10-8-16(6-7-16)17(18,19)20/h3-5,9H,6-8,10H2,1-2H3
InChIKeyFLSSGNZMAVAMJW-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.89
Rot. Bonds6

About 1-[2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-3-pyridinyl]ethanone

1-[2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-3-pyridinyl]ethanone (PubChem CID 134393453) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 1-[2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-3-pyridinyl]ethanone
PubChem CID134393453
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name1-[2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)nc1C
InChIInChI=1S/C17H18F3N3O2/c1-11-13(12(2)24)3-4-14(21-11)23-9-5-15(22-23)25-10-8-16(6-7-16)17(18,19)20/h3-5,9H,6-8,10H2,1-2H3
InChIKeyFLSSGNZMAVAMJW-UHFFFAOYSA-N
XLogP3.89
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-3-pyridinyl]ethanone (CID 134393453) is 1-[2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-3-pyridinyl]ethanone is CC(=O)c1ccc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)nc1C.
What is the InChIKey of 1-[2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-3-pyridinyl]ethanone?
The InChIKey is FLSSGNZMAVAMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-11-13(12(2)24)3-4-14(21-11)23-9-5-15(22-23)25-10-8-16(6-7-16)17(18,19)20/h3-5,9H,6-8,10H2,1-2H3.
What are the key properties of 1-[2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-3-pyridinyl]ethanone?
1-[2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-3-pyridinyl]ethanone has a molecular weight of 353.34 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 134393453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).