2-(3,4-dihydropyrazol-2-yl)-1-phenylethanol

C11H14N2O — CID 90915117

IUPAC2-(3,4-dihydropyrazol-2-yl)-1-phenylethanol
SMILESOC(CN1CCC=N1)c1ccccc1
InChIInChI=1S/C11H14N2O/c14-11(9-13-8-4-7-12-13)10-5-2-1-3-6-10/h1-3,5-7,11,14H,4,8-9H2
InChIKeyYYBCVNMAGAPSON-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.41
Rot. Bonds3

About 2-(3,4-dihydropyrazol-2-yl)-1-phenylethanol

2-(3,4-dihydropyrazol-2-yl)-1-phenylethanol (PubChem CID 90915117) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(3,4-dihydropyrazol-2-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(3,4-dihydropyrazol-2-yl)-1-phenylethanol
PubChem CID90915117
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(3,4-dihydropyrazol-2-yl)-1-phenylethanol
SMILESOC(CN1CCC=N1)c1ccccc1
InChIInChI=1S/C11H14N2O/c14-11(9-13-8-4-7-12-13)10-5-2-1-3-6-10/h1-3,5-7,11,14H,4,8-9H2
InChIKeyYYBCVNMAGAPSON-UHFFFAOYSA-N
XLogP1.41
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-(1-(Methylnitrosoamino)ethyl)benzenemethanol
CID 28638
2-[Amino(methyl)amino]-1-phenylethanol
CID 9838666
2-[Amino(2-methylpropyl)amino]-1-phenylethanol
CID 21361101
2-(Diethylamino)-1-phenylethanol
CID 223392
1-Phenyl-2-pyrrolidin-1-ylethanol
CID 221213
2-(Dimethylamino)-1-phenylethanol
CID 120846
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylnitrous amide
CID 5354526
N-(2-hydroxy-2-phenylethyl)-N-methylnitrous amide
CID 189974
(2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol
CID 134987510
Bis(2-hydroxyethyl)(2-phenyl-2-hydroxyethyl)amine
CID 4456790
(R)-1-Phenyl-2-(1-pyrrolidinyl)-ethanol
CID 7195215
(-)-2-(Dimethylamino)-1-phenylethanol
CID 120844

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydropyrazol-2-yl)-1-phenylethanol?
The IUPAC name of 2-(3,4-dihydropyrazol-2-yl)-1-phenylethanol (CID 90915117) is 2-(3,4-dihydropyrazol-2-yl)-1-phenylethanol.
What is the SMILES notation for 2-(3,4-dihydropyrazol-2-yl)-1-phenylethanol?
The canonical SMILES for 2-(3,4-dihydropyrazol-2-yl)-1-phenylethanol is OC(CN1CCC=N1)c1ccccc1.
What is the InChIKey of 2-(3,4-dihydropyrazol-2-yl)-1-phenylethanol?
The InChIKey is YYBCVNMAGAPSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-11(9-13-8-4-7-12-13)10-5-2-1-3-6-10/h1-3,5-7,11,14H,4,8-9H2.
What are the key properties of 2-(3,4-dihydropyrazol-2-yl)-1-phenylethanol?
2-(3,4-dihydropyrazol-2-yl)-1-phenylethanol has a molecular weight of 190.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydropyrazol-2-yl)-1-phenylethanol is sourced from PubChem (CID 90915117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).