2-[3-chloro-5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1H-pyrazol-4-yl]ethyl acetate

C16H15ClFN5O2 — CID 71219337

IUPAC2-[3-chloro-5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1H-pyrazol-4-yl]ethyl acetate
SMILESCC(=O)OCCc1c(Cl)n[nH]c1Cn1ccnc1-c1ncccc1F
InChIInChI=1S/C16H15ClFN5O2/c1-10(24)25-8-4-11-13(21-22-15(11)17)9-23-7-6-20-16(23)14-12(18)3-2-5-19-14/h2-3,5-7H,4,8-9H2,1H3,(H,21,22)
InChIKeyYMYKDAATDQJHTR-UHFFFAOYSA-N
MW363.78 g/mol
LogP2.61
Rot. Bonds6

About 2-[3-chloro-5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1H-pyrazol-4-yl]ethyl acetate

2-[3-chloro-5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1H-pyrazol-4-yl]ethyl acetate (PubChem CID 71219337) has the molecular formula C16H15ClFN5O2 and a molecular weight of 363.78 g/mol. Its IUPAC name is 2-[3-chloro-5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1H-pyrazol-4-yl]ethyl acetate.

Molecular Properties

Compound Name2-[3-chloro-5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1H-pyrazol-4-yl]ethyl acetate
PubChem CID71219337
Molecular FormulaC16H15ClFN5O2
Molecular Weight363.78 g/mol
Exact Mass363.09
IUPAC Name2-[3-chloro-5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1H-pyrazol-4-yl]ethyl acetate
SMILESCC(=O)OCCc1c(Cl)n[nH]c1Cn1ccnc1-c1ncccc1F
InChIInChI=1S/C16H15ClFN5O2/c1-10(24)25-8-4-11-13(21-22-15(11)17)9-23-7-6-20-16(23)14-12(18)3-2-5-19-14/h2-3,5-7H,4,8-9H2,1H3,(H,21,22)
InChIKeyYMYKDAATDQJHTR-UHFFFAOYSA-N
XLogP2.61
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1H-pyrazol-4-yl]ethyl acetate?
The IUPAC name of 2-[3-chloro-5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1H-pyrazol-4-yl]ethyl acetate (CID 71219337) is 2-[3-chloro-5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1H-pyrazol-4-yl]ethyl acetate.
What is the SMILES notation for 2-[3-chloro-5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1H-pyrazol-4-yl]ethyl acetate?
The canonical SMILES for 2-[3-chloro-5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1H-pyrazol-4-yl]ethyl acetate is CC(=O)OCCc1c(Cl)n[nH]c1Cn1ccnc1-c1ncccc1F.
What is the InChIKey of 2-[3-chloro-5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1H-pyrazol-4-yl]ethyl acetate?
The InChIKey is YMYKDAATDQJHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN5O2/c1-10(24)25-8-4-11-13(21-22-15(11)17)9-23-7-6-20-16(23)14-12(18)3-2-5-19-14/h2-3,5-7H,4,8-9H2,1H3,(H,21,22).
What are the key properties of 2-[3-chloro-5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1H-pyrazol-4-yl]ethyl acetate?
2-[3-chloro-5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1H-pyrazol-4-yl]ethyl acetate has a molecular weight of 363.78 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1H-pyrazol-4-yl]ethyl acetate is sourced from PubChem (CID 71219337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).