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

C12H18N2O3 — CID 102646637

IUPAC3,4-dihydro-2H-pyran-6-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol
SMILESCOc1c(C(O)C2=CCCCO2)c(C)nn1C
InChIInChI=1S/C12H18N2O3/c1-8-10(12(16-3)14(2)13-8)11(15)9-6-4-5-7-17-9/h6,11,15H,4-5,7H2,1-3H3
InChIKeyZHBQADPHOIQYRP-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.46
Rot. Bonds3

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

3,4-dihydro-2H-pyran-6-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol (PubChem CID 102646637) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol
PubChem CID102646637
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol
SMILESCOc1c(C(O)C2=CCCCO2)c(C)nn1C
InChIInChI=1S/C12H18N2O3/c1-8-10(12(16-3)14(2)13-8)11(15)9-6-4-5-7-17-9/h6,11,15H,4-5,7H2,1-3H3
InChIKeyZHBQADPHOIQYRP-UHFFFAOYSA-N
XLogP1.46
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 102649824
(5-chloro-1,3-dimethylpyrazol-4-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102646636
cyclohepten-1-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol
CID 106651334
3,4-dihydro-2H-pyran-6-yl-(3-methylimidazol-4-yl)methanol
CID 102646615
5-[hydroxy-(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxylic acid
CID 106946225
(4-bromo-1,3-thiazol-5-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol
CID 114102815
(1S)-3-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol
CID 96859628
3-ethyl-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)pentan-1-ol
CID 82929019
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 102648848
2,3-dihydrofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 102650763
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-methylpentan-1-ol
CID 107892711
2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-2-pyrrolidin-1-ylacetonitrile
CID 113463488

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol (CID 102646637) is 3,4-dihydro-2H-pyran-6-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol is COc1c(C(O)C2=CCCCO2)c(C)nn1C.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol?
The InChIKey is ZHBQADPHOIQYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-10(12(16-3)14(2)13-8)11(15)9-6-4-5-7-17-9/h6,11,15H,4-5,7H2,1-3H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol?
3,4-dihydro-2H-pyran-6-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol has a molecular weight of 238.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 102646637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).