1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol

C15H18N2O2 — CID 65411728

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(CC(O)C2CCOc3ccccc32)cn1
InChIInChI=1S/C15H18N2O2/c1-17-10-11(9-16-17)8-14(18)12-6-7-19-15-5-3-2-4-13(12)15/h2-5,9-10,12,14,18H,6-8H2,1H3
InChIKeyKIGTWJCFBOUSTD-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.89
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol

1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol (PubChem CID 65411728) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol
PubChem CID65411728
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(CC(O)C2CCOc3ccccc32)cn1
InChIInChI=1S/C15H18N2O2/c1-17-10-11(9-16-17)8-14(18)12-6-7-19-15-5-3-2-4-13(12)15/h2-5,9-10,12,14,18H,6-8H2,1H3
InChIKeyKIGTWJCFBOUSTD-UHFFFAOYSA-N
XLogP1.89
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 115618954
1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780326
2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 107308166
1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol
CID 65410168
1-(3,4-dihydro-2H-chromen-4-yl)but-3-yn-1-ol
CID 65411928
2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 65409768
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol
CID 79446143
2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 65409973
1-cycloheptyl-2-(1-methylpyrazol-4-yl)ethanol
CID 65398921
1-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 97242339
[3,4-dihydro-2H-chromen-4-yl-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105233771

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol (CID 65411728) is 1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol is Cn1cc(CC(O)C2CCOc3ccccc32)cn1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is KIGTWJCFBOUSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17-10-11(9-16-17)8-14(18)12-6-7-19-15-5-3-2-4-13(12)15/h2-5,9-10,12,14,18H,6-8H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol?
1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 258.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 65411728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).