10-(3-methylpyrazol-1-yl)spiro[4.5]decan-8-ol

C14H22N2O — CID 165497827

IUPAC10-(3-methylpyrazol-1-yl)spiro[4.5]decan-8-ol
SMILESCc1ccn(C2CC(O)CCC23CCCC3)n1
InChIInChI=1S/C14H22N2O/c1-11-5-9-16(15-11)13-10-12(17)4-8-14(13)6-2-3-7-14/h5,9,12-13,17H,2-4,6-8,10H2,1H3
InChIKeyQSLNGJVGUMRADB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.84
Rot. Bonds1

About 10-(3-methylpyrazol-1-yl)spiro[4.5]decan-8-ol

10-(3-methylpyrazol-1-yl)spiro[4.5]decan-8-ol (PubChem CID 165497827) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 10-(3-methylpyrazol-1-yl)spiro[4.5]decan-8-ol.

Molecular Properties

Compound Name10-(3-methylpyrazol-1-yl)spiro[4.5]decan-8-ol
PubChem CID165497827
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name10-(3-methylpyrazol-1-yl)spiro[4.5]decan-8-ol
SMILESCc1ccn(C2CC(O)CCC23CCCC3)n1
InChIInChI=1S/C14H22N2O/c1-11-5-9-16(15-11)13-10-12(17)4-8-14(13)6-2-3-7-14/h5,9,12-13,17H,2-4,6-8,10H2,1H3
InChIKeyQSLNGJVGUMRADB-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(3-methylpyrazol-1-yl)spiro[4.5]decan-8-ol?
The IUPAC name of 10-(3-methylpyrazol-1-yl)spiro[4.5]decan-8-ol (CID 165497827) is 10-(3-methylpyrazol-1-yl)spiro[4.5]decan-8-ol.
What is the SMILES notation for 10-(3-methylpyrazol-1-yl)spiro[4.5]decan-8-ol?
The canonical SMILES for 10-(3-methylpyrazol-1-yl)spiro[4.5]decan-8-ol is Cc1ccn(C2CC(O)CCC23CCCC3)n1.
What is the InChIKey of 10-(3-methylpyrazol-1-yl)spiro[4.5]decan-8-ol?
The InChIKey is QSLNGJVGUMRADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-5-9-16(15-11)13-10-12(17)4-8-14(13)6-2-3-7-14/h5,9,12-13,17H,2-4,6-8,10H2,1H3.
What are the key properties of 10-(3-methylpyrazol-1-yl)spiro[4.5]decan-8-ol?
10-(3-methylpyrazol-1-yl)spiro[4.5]decan-8-ol has a molecular weight of 234.34 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-methylpyrazol-1-yl)spiro[4.5]decan-8-ol is sourced from PubChem (CID 165497827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).