(1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol

C11H18N2O2 — CID 107135628

IUPAC(1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol
SMILESCc1c(C(O)C2CCCOC2)cnn1C
InChIInChI=1S/C11H18N2O2/c1-8-10(6-12-13(8)2)11(14)9-4-3-5-15-7-9/h6,9,11,14H,3-5,7H2,1-2H3
InChIKeyVSXKYIQWUDHESV-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.19
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol

(1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol (PubChem CID 107135628) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol
PubChem CID107135628
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol
SMILESCc1c(C(O)C2CCCOC2)cnn1C
InChIInChI=1S/C11H18N2O2/c1-8-10(6-12-13(8)2)11(14)9-4-3-5-15-7-9/h6,9,11,14H,3-5,7H2,1-2H3
InChIKeyVSXKYIQWUDHESV-UHFFFAOYSA-N
XLogP1.19
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-3-pyridinyl)-(oxan-3-yl)methanol
CID 66273091
[(1,5-dimethylpyrazol-4-yl)-(oxolan-3-yl)methyl]hydrazine
CID 105306569
1,5-dimethyl-N-(oxan-3-yl)pyrazol-4-amine
CID 115923293
(2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol
CID 107512213
2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 105100749
(5-bromo-2-methylphenyl)-(oxan-3-yl)methanol
CID 107139423
(2,4-difluoro-5-methylphenyl)-(oxan-3-yl)methanol
CID 79731520
cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol
CID 130637937
oxan-3-yl-(2-propylpyrazol-3-yl)methanol
CID 63977183
(5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol
CID 63899537
(3-chloro-4-pyridinyl)-(oxan-3-yl)methanol
CID 107139487
(1,5-dimethylpyrazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79912631

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol (CID 107135628) is (1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol is Cc1c(C(O)C2CCCOC2)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol?
The InChIKey is VSXKYIQWUDHESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-10(6-12-13(8)2)11(14)9-4-3-5-15-7-9/h6,9,11,14H,3-5,7H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol?
(1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol has a molecular weight of 210.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol is sourced from PubChem (CID 107135628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).