[1-methyl-5-(2-phenylmethoxyethyl)pyrazol-3-yl]methanol

C14H18N2O2 — CID 155905737

IUPAC[1-methyl-5-(2-phenylmethoxyethyl)pyrazol-3-yl]methanol
SMILESCn1nc(CO)cc1CCOCc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-16-14(9-13(10-17)15-16)7-8-18-11-12-5-3-2-4-6-12/h2-6,9,17H,7-8,10-11H2,1H3
InChIKeySGUWWYSMGURVRA-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.67
Rot. Bonds6

About [1-methyl-5-(2-phenylmethoxyethyl)pyrazol-3-yl]methanol

[1-methyl-5-(2-phenylmethoxyethyl)pyrazol-3-yl]methanol (PubChem CID 155905737) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [1-methyl-5-(2-phenylmethoxyethyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-methyl-5-(2-phenylmethoxyethyl)pyrazol-3-yl]methanol
PubChem CID155905737
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[1-methyl-5-(2-phenylmethoxyethyl)pyrazol-3-yl]methanol
SMILESCn1nc(CO)cc1CCOCc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-16-14(9-13(10-17)15-16)7-8-18-11-12-5-3-2-4-6-12/h2-6,9,17H,7-8,10-11H2,1H3
InChIKeySGUWWYSMGURVRA-UHFFFAOYSA-N
XLogP1.67
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(2-phenylmethoxyethyl)phenyl]methanol
CID 59371444
(5-ethyl-1-methylpyrazol-3-yl)methanol
CID 23005581
2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol
CID 115092153
3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide
CID 66120747
(1S)-1-deuterio-2-phenylmethoxyethanol
CID 136712283
ethane;2-phenylmethoxyethanamine
CID 142016503
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
dimethyltin;phenylmethoxymethylbenzene
CID 87392963
ethane;phenylmethoxymethylbenzene
CID 90943549
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-phenylmethoxyethanone
CID 91785016
2-(2-phenylmethoxyethyl)pyrazole-3-carboxylic acid
CID 137425411
lithium;butoxymethylbenzene;hydride
CID 175482454

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(2-phenylmethoxyethyl)pyrazol-3-yl]methanol?
The IUPAC name of [1-methyl-5-(2-phenylmethoxyethyl)pyrazol-3-yl]methanol (CID 155905737) is [1-methyl-5-(2-phenylmethoxyethyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1-methyl-5-(2-phenylmethoxyethyl)pyrazol-3-yl]methanol?
The canonical SMILES for [1-methyl-5-(2-phenylmethoxyethyl)pyrazol-3-yl]methanol is Cn1nc(CO)cc1CCOCc1ccccc1.
What is the InChIKey of [1-methyl-5-(2-phenylmethoxyethyl)pyrazol-3-yl]methanol?
The InChIKey is SGUWWYSMGURVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-14(9-13(10-17)15-16)7-8-18-11-12-5-3-2-4-6-12/h2-6,9,17H,7-8,10-11H2,1H3.
What are the key properties of [1-methyl-5-(2-phenylmethoxyethyl)pyrazol-3-yl]methanol?
[1-methyl-5-(2-phenylmethoxyethyl)pyrazol-3-yl]methanol has a molecular weight of 246.31 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(2-phenylmethoxyethyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 155905737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).