3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol

C16H20N2O2 — CID 114743713

IUPAC3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
SMILESCCc1nn(C)cc1C(O)c1cccc2c1OCCC2
InChIInChI=1S/C16H20N2O2/c1-3-14-13(10-18(2)17-14)15(19)12-8-4-6-11-7-5-9-20-16(11)12/h4,6,8,10,15,19H,3,5,7,9H2,1-2H3
InChIKeyKSDCGMHNHQZYHS-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.39
Rot. Bonds3

About 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol

3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol (PubChem CID 114743713) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
PubChem CID114743713
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
SMILESCCc1nn(C)cc1C(O)c1cccc2c1OCCC2
InChIInChI=1S/C16H20N2O2/c1-3-14-13(10-18(2)17-14)15(19)12-8-4-6-11-7-5-9-20-16(11)12/h4,6,8,10,15,19H,3,5,7,9H2,1-2H3
InChIKeyKSDCGMHNHQZYHS-UHFFFAOYSA-N
XLogP2.39
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol
CID 114743317
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309
3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol
CID 115837843
2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 104542185
2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol
CID 107978736
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 106694050
1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364
1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylbutan-1-ol
CID 115837825
N-[3,4-dihydro-2H-chromen-8-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 114745509
(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 115837822

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol (CID 114743713) is 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol is CCc1nn(C)cc1C(O)c1cccc2c1OCCC2.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol?
The InChIKey is KSDCGMHNHQZYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-14-13(10-18(2)17-14)15(19)12-8-4-6-11-7-5-9-20-16(11)12/h4,6,8,10,15,19H,3,5,7,9H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol?
3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol has a molecular weight of 272.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 114743713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).