4-[5-[4-(3-ethylpyrazol-1-yl)oxan-2-yl]pyrazol-1-yl]pyridine

C18H21N5O — CID 141154262

IUPAC4-[5-[4-(3-ethylpyrazol-1-yl)oxan-2-yl]pyrazol-1-yl]pyridine
SMILESCCc1ccn(C2CCOC(c3ccnn3-c3ccncc3)C2)n1
InChIInChI=1S/C18H21N5O/c1-2-14-6-11-22(21-14)16-7-12-24-18(13-16)17-5-10-20-23(17)15-3-8-19-9-4-15/h3-6,8-11,16,18H,2,7,12-13H2,1H3
InChIKeyFOOWKDGBEOTOBA-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.12
Rot. Bonds4

About 4-[5-[4-(3-ethylpyrazol-1-yl)oxan-2-yl]pyrazol-1-yl]pyridine

4-[5-[4-(3-ethylpyrazol-1-yl)oxan-2-yl]pyrazol-1-yl]pyridine (PubChem CID 141154262) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[5-[4-(3-ethylpyrazol-1-yl)oxan-2-yl]pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name4-[5-[4-(3-ethylpyrazol-1-yl)oxan-2-yl]pyrazol-1-yl]pyridine
PubChem CID141154262
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-[5-[4-(3-ethylpyrazol-1-yl)oxan-2-yl]pyrazol-1-yl]pyridine
SMILESCCc1ccn(C2CCOC(c3ccnn3-c3ccncc3)C2)n1
InChIInChI=1S/C18H21N5O/c1-2-14-6-11-22(21-14)16-7-12-24-18(13-16)17-5-10-20-23(17)15-3-8-19-9-4-15/h3-6,8-11,16,18H,2,7,12-13H2,1H3
InChIKeyFOOWKDGBEOTOBA-UHFFFAOYSA-N
XLogP3.12
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(3-ethylpyrazol-1-yl)oxan-2-yl]pyrazol-1-yl]pyridine?
The IUPAC name of 4-[5-[4-(3-ethylpyrazol-1-yl)oxan-2-yl]pyrazol-1-yl]pyridine (CID 141154262) is 4-[5-[4-(3-ethylpyrazol-1-yl)oxan-2-yl]pyrazol-1-yl]pyridine.
What is the SMILES notation for 4-[5-[4-(3-ethylpyrazol-1-yl)oxan-2-yl]pyrazol-1-yl]pyridine?
The canonical SMILES for 4-[5-[4-(3-ethylpyrazol-1-yl)oxan-2-yl]pyrazol-1-yl]pyridine is CCc1ccn(C2CCOC(c3ccnn3-c3ccncc3)C2)n1.
What is the InChIKey of 4-[5-[4-(3-ethylpyrazol-1-yl)oxan-2-yl]pyrazol-1-yl]pyridine?
The InChIKey is FOOWKDGBEOTOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-14-6-11-22(21-14)16-7-12-24-18(13-16)17-5-10-20-23(17)15-3-8-19-9-4-15/h3-6,8-11,16,18H,2,7,12-13H2,1H3.
What are the key properties of 4-[5-[4-(3-ethylpyrazol-1-yl)oxan-2-yl]pyrazol-1-yl]pyridine?
4-[5-[4-(3-ethylpyrazol-1-yl)oxan-2-yl]pyrazol-1-yl]pyridine has a molecular weight of 323.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(3-ethylpyrazol-1-yl)oxan-2-yl]pyrazol-1-yl]pyridine is sourced from PubChem (CID 141154262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).