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

C17H22N2O2 — CID 114557033

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-propylpyrazol-3-yl)ethanol
SMILESCCCn1nccc1C(O)CC1CCOc2ccccc21
InChIInChI=1S/C17H22N2O2/c1-2-10-19-15(7-9-18-19)16(20)12-13-8-11-21-17-6-4-3-5-14(13)17/h3-7,9,13,16,20H,2,8,10-12H2,1H3
InChIKeyGTBRYSUVWJZBQK-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.28
Rot. Bonds5

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

2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-propylpyrazol-3-yl)ethanol (PubChem CID 114557033) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-propylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-propylpyrazol-3-yl)ethanol
PubChem CID114557033
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-propylpyrazol-3-yl)ethanol
SMILESCCCn1nccc1C(O)CC1CCOc2ccccc21
InChIInChI=1S/C17H22N2O2/c1-2-10-19-15(7-9-18-19)16(20)12-13-8-11-21-17-6-4-3-5-14(13)17/h3-7,9,13,16,20H,2,8,10-12H2,1H3
InChIKeyGTBRYSUVWJZBQK-UHFFFAOYSA-N
XLogP3.28
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554040
1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 114557066
2-(3,4-dihydro-2H-chromen-4-yl)-1-(1-methylimidazol-2-yl)ethanol
CID 104770067
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol
CID 104769238
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanol
CID 104769214
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
1-(3-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831946
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol
CID 104769223
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylbutanoic acid
CID 113451184
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-4-propylpiperazine
CID 124881489
1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 106695578
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-methoxyphenyl)ethanol
CID 104769164

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-propylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-propylpyrazol-3-yl)ethanol (CID 114557033) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-propylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-propylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-propylpyrazol-3-yl)ethanol is CCCn1nccc1C(O)CC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-propylpyrazol-3-yl)ethanol?
The InChIKey is GTBRYSUVWJZBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-10-19-15(7-9-18-19)16(20)12-13-8-11-21-17-6-4-3-5-14(13)17/h3-7,9,13,16,20H,2,8,10-12H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-propylpyrazol-3-yl)ethanol?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-propylpyrazol-3-yl)ethanol has a molecular weight of 286.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-propylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114557033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).