3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol

C12H18N2O2 — CID 102649824

IUPAC3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)c(C)c1C(O)C1=CCCCO1
InChIInChI=1S/C12H18N2O2/c1-8-11(9(2)14(3)13-8)12(15)10-6-4-5-7-16-10/h6,12,15H,4-5,7H2,1-3H3
InChIKeyROXVAGARSUMMAQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.76
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol

3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol (PubChem CID 102649824) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol
PubChem CID102649824
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)c(C)c1C(O)C1=CCCCO1
InChIInChI=1S/C12H18N2O2/c1-8-11(9(2)14(3)13-8)12(15)10-6-4-5-7-16-10/h6,12,15H,4-5,7H2,1-3H3
InChIKeyROXVAGARSUMMAQ-UHFFFAOYSA-N
XLogP1.76
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-1,3-dimethylpyrazol-4-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102646636
3,4-dihydro-2H-pyran-6-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol
CID 102646637
3,4-dihydro-2H-pyran-6-yl-(3-methylimidazol-4-yl)methanol
CID 102646615
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 102648848
1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 102653938
2,3-dihydrofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 102650763
(1R)-2-bromo-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 83001320
(4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102646462
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol
CID 105076282
cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105105459
1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol
CID 105084964
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanol
CID 102654803

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol (CID 102649824) is 3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol is Cc1nn(C)c(C)c1C(O)C1=CCCCO1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol?
The InChIKey is ROXVAGARSUMMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-11(9(2)14(3)13-8)12(15)10-6-4-5-7-16-10/h6,12,15H,4-5,7H2,1-3H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol?
3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol has a molecular weight of 222.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 102649824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).