1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol

C17H28N2O2 — CID 103572574

IUPAC1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2CCOC3(CCCCC3)C2)cn1
InChIInChI=1S/C17H28N2O2/c1-2-9-19-13-15(12-18-19)16(20)14-6-10-21-17(11-14)7-4-3-5-8-17/h12-14,16,20H,2-11H2,1H3
InChIKeyZKFQROWFUWGQNC-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.46
Rot. Bonds4

About 1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol

1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol (PubChem CID 103572574) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol
PubChem CID103572574
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2CCOC3(CCCCC3)C2)cn1
InChIInChI=1S/C17H28N2O2/c1-2-9-19-13-15(12-18-19)16(20)14-6-10-21-17(11-14)7-4-3-5-8-17/h12-14,16,20H,2-11H2,1H3
InChIKeyZKFQROWFUWGQNC-UHFFFAOYSA-N
XLogP3.46
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-3-yl-(1-propylpyrazol-4-yl)methanol
CID 63893224
cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
(3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol
CID 114215857
(1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79911940
(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572566
(5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 105116035
(3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116233
cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol
CID 63901804
(1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol
CID 105080812
(1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol
CID 80621601
(6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 114938024
(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106756295

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of 1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol (CID 103572574) is 1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for 1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for 1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)C2CCOC3(CCCCC3)C2)cn1.
What is the InChIKey of 1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol?
The InChIKey is ZKFQROWFUWGQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-2-9-19-13-15(12-18-19)16(20)14-6-10-21-17(11-14)7-4-3-5-8-17/h12-14,16,20H,2-11H2,1H3.
What are the key properties of 1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol?
1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol has a molecular weight of 292.42 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 103572574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).