oxan-3-yl-(2-propylpyrazol-3-yl)methanol

C12H20N2O2 — CID 63977183

IUPACoxan-3-yl-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)C1CCCOC1
InChIInChI=1S/C12H20N2O2/c1-2-7-14-11(5-6-13-14)12(15)10-4-3-8-16-9-10/h5-6,10,12,15H,2-4,7-9H2,1H3
InChIKeyUTNASGRFIUORMA-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.75
Rot. Bonds4

About oxan-3-yl-(2-propylpyrazol-3-yl)methanol

oxan-3-yl-(2-propylpyrazol-3-yl)methanol (PubChem CID 63977183) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is oxan-3-yl-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Nameoxan-3-yl-(2-propylpyrazol-3-yl)methanol
PubChem CID63977183
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Nameoxan-3-yl-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)C1CCCOC1
InChIInChI=1S/C12H20N2O2/c1-2-7-14-11(5-6-13-14)12(15)10-4-3-8-16-9-10/h5-6,10,12,15H,2-4,7-9H2,1H3
InChIKeyUTNASGRFIUORMA-UHFFFAOYSA-N
XLogP1.75
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-2-yl-(2-propylpyrazol-3-yl)methanol
CID 114557083
N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 80603885
(2-ethylpyrazol-3-yl)-piperidin-3-ylmethanol
CID 80559133
(2-propylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622236
2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
CID 63977421
(4-ethylphenyl)-(oxan-3-yl)methanol
CID 63014910
cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940
(1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol
CID 107135628
1,4-dioxan-2-yl-(2-ethylpyrazol-3-yl)methanol
CID 65350804
[2-cyclopentyl-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105307026
oxolan-3-yl-(1-propylpyrazol-4-yl)methanol
CID 63893224
(4-cyclopropylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 79980656

Frequently Asked Questions

What is the IUPAC name of oxan-3-yl-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of oxan-3-yl-(2-propylpyrazol-3-yl)methanol (CID 63977183) is oxan-3-yl-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for oxan-3-yl-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for oxan-3-yl-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)C1CCCOC1.
What is the InChIKey of oxan-3-yl-(2-propylpyrazol-3-yl)methanol?
The InChIKey is UTNASGRFIUORMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-7-14-11(5-6-13-14)12(15)10-4-3-8-16-9-10/h5-6,10,12,15H,2-4,7-9H2,1H3.
What are the key properties of oxan-3-yl-(2-propylpyrazol-3-yl)methanol?
oxan-3-yl-(2-propylpyrazol-3-yl)methanol has a molecular weight of 224.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-yl-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 63977183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).