1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol

C12H22N2O3 — CID 105130141

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCCn1ncc(OC)c1C(O)COC(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-6-14-11(10(16-5)7-13-14)9(15)8-17-12(2,3)4/h7,9,15H,6,8H2,1-5H3
InChIKeyBAPIIGHDWHJJRR-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.76
Rot. Bonds5

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol

1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol (PubChem CID 105130141) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
PubChem CID105130141
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCCn1ncc(OC)c1C(O)COC(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-6-14-11(10(16-5)7-13-14)9(15)8-17-12(2,3)4/h7,9,15H,6,8H2,1-5H3
InChIKeyBAPIIGHDWHJJRR-UHFFFAOYSA-N
XLogP1.76
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105127584
2-(dimethylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 114644642
2-(3,5-dimethylphenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 114643392
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol
CID 114635185
3-(dimethylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-ol
CID 114645183
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,3-dimethylbutan-1-ol
CID 114645711
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-ethylsulfanylpropan-1-ol
CID 114638597
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol
CID 103089700
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-methoxyphenyl)ethanol
CID 114643108
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol
CID 114636558
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-ol
CID 114635552
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-amine
CID 114661490

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol (CID 105130141) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol is CCn1ncc(OC)c1C(O)COC(C)(C)C.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The InChIKey is BAPIIGHDWHJJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-6-14-11(10(16-5)7-13-14)9(15)8-17-12(2,3)4/h7,9,15H,6,8H2,1-5H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol has a molecular weight of 242.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol is sourced from PubChem (CID 105130141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).