2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol

C13H24N2O2 — CID 116752129

IUPAC2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol
SMILESCCCn1nccc1C(O)C(C)(CC)OCC
InChIInChI=1S/C13H24N2O2/c1-5-10-15-11(8-9-14-15)12(16)13(4,6-2)17-7-3/h8-9,12,16H,5-7,10H2,1-4H3
InChIKeyPJABOZKWDXXEOI-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.53
Rot. Bonds7

About 2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol

2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol (PubChem CID 116752129) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol
PubChem CID116752129
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol
SMILESCCCn1nccc1C(O)C(C)(CC)OCC
InChIInChI=1S/C13H24N2O2/c1-5-10-15-11(8-9-14-15)12(16)13(4,6-2)17-7-3/h8-9,12,16H,5-7,10H2,1-4H3
InChIKeyPJABOZKWDXXEOI-UHFFFAOYSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
CID 63977421
2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol
CID 116713015
furan-3-yl-(2-propylpyrazol-3-yl)methanol
CID 63974629
2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol
CID 114686813
2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-ol
CID 116710992
2,2-dimethyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975935
(2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol
CID 114556923
(4-ethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63976106
2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 116752121
(2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63975892
2-[(2-ethylpyrazol-3-yl)-hydroxymethyl]-2-methylbutanenitrile
CID 114558131
(3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
CID 115798642

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol?
The IUPAC name of 2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol (CID 116752129) is 2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol.
What is the SMILES notation for 2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol?
The canonical SMILES for 2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol is CCCn1nccc1C(O)C(C)(CC)OCC.
What is the InChIKey of 2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol?
The InChIKey is PJABOZKWDXXEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-10-15-11(8-9-14-15)12(16)13(4,6-2)17-7-3/h8-9,12,16H,5-7,10H2,1-4H3.
What are the key properties of 2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol?
2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol has a molecular weight of 240.35 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol is sourced from PubChem (CID 116752129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).