3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol

C15H16N2O — CID 54969753

IUPAC3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol
SMILESCc1cc(C)n(Cc2ccccc2C#CCO)n1
InChIInChI=1S/C15H16N2O/c1-12-10-13(2)17(16-12)11-15-7-4-3-6-14(15)8-5-9-18/h3-4,6-7,10,18H,9,11H2,1-2H3
InChIKeyNJVISXDZLJOYHH-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.89
Rot. Bonds2

About 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol

3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol (PubChem CID 54969753) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol
PubChem CID54969753
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol
SMILESCc1cc(C)n(Cc2ccccc2C#CCO)n1
InChIInChI=1S/C15H16N2O/c1-12-10-13(2)17(16-12)11-15-7-4-3-6-14(15)8-5-9-18/h3-4,6-7,10,18H,9,11H2,1-2H3
InChIKeyNJVISXDZLJOYHH-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60802220
3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 54969801
3-[2-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 82694487
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole
CID 63810139
ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol
CID 142610234
3-(2-methylphenyl)prop-2-yn-1-ol
CID 45156701
[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine
CID 16792269
8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline
CID 60982843
2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 12988154
3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 54970383
3-(2-tert-butylphenyl)prop-2-yn-1-ol
CID 58989890
[2-[(3,5-dimethylpyrazol-1-yl)methyl]-5-fluorophenyl]boronic acid
CID 54970732

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol (CID 54969753) is 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol is Cc1cc(C)n(Cc2ccccc2C#CCO)n1.
What is the InChIKey of 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol?
The InChIKey is NJVISXDZLJOYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-12-10-13(2)17(16-12)11-15-7-4-3-6-14(15)8-5-9-18/h3-4,6-7,10,18H,9,11H2,1-2H3.
What are the key properties of 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol?
3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol has a molecular weight of 240.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 54969753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).