oxolan-3-yl-(1-propylpyrazol-4-yl)methanol

C11H18N2O2 — CID 63893224

IUPACoxolan-3-yl-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2CCOC2)cn1
InChIInChI=1S/C11H18N2O2/c1-2-4-13-7-10(6-12-13)11(14)9-3-5-15-8-9/h6-7,9,11,14H,2-5,8H2,1H3
InChIKeyJLJGAZLKVILMCH-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.36
Rot. Bonds4

About oxolan-3-yl-(1-propylpyrazol-4-yl)methanol

oxolan-3-yl-(1-propylpyrazol-4-yl)methanol (PubChem CID 63893224) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is oxolan-3-yl-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Nameoxolan-3-yl-(1-propylpyrazol-4-yl)methanol
PubChem CID63893224
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameoxolan-3-yl-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2CCOC2)cn1
InChIInChI=1S/C11H18N2O2/c1-2-4-13-7-10(6-12-13)11(14)9-3-5-15-8-9/h6-7,9,11,14H,2-5,8H2,1H3
InChIKeyJLJGAZLKVILMCH-UHFFFAOYSA-N
XLogP1.36
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol
CID 61279320
cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol
CID 103572574
(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572566
cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol
CID 63901804
(1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol
CID 105080812
(3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol
CID 114215857
2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 103986856
(1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol
CID 80621601
1,4-oxathian-2-yl-(1-propylpyrazol-4-yl)methanol
CID 79962789
N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330533
(3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572548

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of oxolan-3-yl-(1-propylpyrazol-4-yl)methanol (CID 63893224) is oxolan-3-yl-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for oxolan-3-yl-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for oxolan-3-yl-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)C2CCOC2)cn1.
What is the InChIKey of oxolan-3-yl-(1-propylpyrazol-4-yl)methanol?
The InChIKey is JLJGAZLKVILMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-4-13-7-10(6-12-13)11(14)9-3-5-15-8-9/h6-7,9,11,14H,2-5,8H2,1H3.
What are the key properties of oxolan-3-yl-(1-propylpyrazol-4-yl)methanol?
oxolan-3-yl-(1-propylpyrazol-4-yl)methanol has a molecular weight of 210.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 63893224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).