2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol

C15H20N2O — CID 107332293

IUPAC2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol
SMILESCC(C)C(C)C(O)c1ccnn1-c1ccccc1
InChIInChI=1S/C15H20N2O/c1-11(2)12(3)15(18)14-9-10-16-17(14)13-7-5-4-6-8-13/h4-12,15,18H,1-3H3
InChIKeyWOTKICSDHSQJST-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.20
Rot. Bonds4

About 2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol

2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol (PubChem CID 107332293) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol
PubChem CID107332293
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol
SMILESCC(C)C(C)C(O)c1ccnn1-c1ccccc1
InChIInChI=1S/C15H20N2O/c1-11(2)12(3)15(18)14-9-10-16-17(14)13-7-5-4-6-8-13/h4-12,15,18H,1-3H3
InChIKeyWOTKICSDHSQJST-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330398
[2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butyl]hydrazine
CID 107332493
N,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330520
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
(2-methylcyclopropyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330350
2-(dimethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-ol
CID 107330353
2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol
CID 107332340
2-(ethylamino)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107331439
2-chloro-2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330397
(2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330329
3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol
CID 107330304
(2-phenylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 107329836

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol?
The IUPAC name of 2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol (CID 107332293) is 2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol.
What is the SMILES notation for 2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol?
The canonical SMILES for 2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol is CC(C)C(C)C(O)c1ccnn1-c1ccccc1.
What is the InChIKey of 2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol?
The InChIKey is WOTKICSDHSQJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)12(3)15(18)14-9-10-16-17(14)13-7-5-4-6-8-13/h4-12,15,18H,1-3H3.
What are the key properties of 2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol?
2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol has a molecular weight of 244.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol is sourced from PubChem (CID 107332293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).