3-[5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]pyridine

C17H21N3O2 — CID 155569131

IUPAC3-[5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]pyridine
SMILESCn1nc(-c2cccnc2)cc1C1COC2(CCCCC2)O1
InChIInChI=1S/C17H21N3O2/c1-20-15(10-14(19-20)13-6-5-9-18-11-13)16-12-21-17(22-16)7-3-2-4-8-17/h5-6,9-11,16H,2-4,7-8,12H2,1H3
InChIKeyXDNZHPCBGOQSHW-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.23
Rot. Bonds2

About 3-[5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]pyridine

3-[5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]pyridine (PubChem CID 155569131) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]pyridine
PubChem CID155569131
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-[5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]pyridine
SMILESCn1nc(-c2cccnc2)cc1C1COC2(CCCCC2)O1
InChIInChI=1S/C17H21N3O2/c1-20-15(10-14(19-20)13-6-5-9-18-11-13)16-12-21-17(22-16)7-3-2-4-8-17/h5-6,9-11,16H,2-4,7-8,12H2,1H3
InChIKeyXDNZHPCBGOQSHW-UHFFFAOYSA-N
XLogP3.23
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]pyridine?
The IUPAC name of 3-[5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]pyridine (CID 155569131) is 3-[5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]pyridine.
What is the SMILES notation for 3-[5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]pyridine?
The canonical SMILES for 3-[5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]pyridine is Cn1nc(-c2cccnc2)cc1C1COC2(CCCCC2)O1.
What is the InChIKey of 3-[5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]pyridine?
The InChIKey is XDNZHPCBGOQSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20-15(10-14(19-20)13-6-5-9-18-11-13)16-12-21-17(22-16)7-3-2-4-8-17/h5-6,9-11,16H,2-4,7-8,12H2,1H3.
What are the key properties of 3-[5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]pyridine?
3-[5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]pyridine has a molecular weight of 299.37 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazol-3-yl]pyridine is sourced from PubChem (CID 155569131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).