1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol

C10H18N2O4 — CID 114636558

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol
SMILESCCn1ncc(OC)c1C(O)C(OC)OC
InChIInChI=1S/C10H18N2O4/c1-5-12-8(7(14-2)6-11-12)9(13)10(15-3)16-4/h6,9-10,13H,5H2,1-4H3
InChIKeyWIGAKHQQIVVWBS-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.56
Rot. Bonds6

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol

1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol (PubChem CID 114636558) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol
PubChem CID114636558
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol
SMILESCCn1ncc(OC)c1C(O)C(OC)OC
InChIInChI=1S/C10H18N2O4/c1-5-12-8(7(14-2)6-11-12)9(13)10(15-3)16-4/h6,9-10,13H,5H2,1-4H3
InChIKeyWIGAKHQQIVVWBS-UHFFFAOYSA-N
XLogP0.56
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-ol
CID 114635185
[1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethyl]hydrazine
CID 105245956
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,3-dimethylbutan-1-ol
CID 114645711
2-cyclohexyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanol
CID 114645947
2-(dimethylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 114644642
2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-ol
CID 114644693
3-(dimethylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-ol
CID 114645183
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105130141
(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol
CID 114634373
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxypropan-1-amine
CID 114657669
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylsulfanylbutan-1-ol
CID 103089700
(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethylpyrazol-3-yl)methanol
CID 114638723

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol (CID 114636558) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol is CCn1ncc(OC)c1C(O)C(OC)OC.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol?
The InChIKey is WIGAKHQQIVVWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-5-12-8(7(14-2)6-11-12)9(13)10(15-3)16-4/h6,9-10,13H,5H2,1-4H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol?
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol has a molecular weight of 230.26 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethanol is sourced from PubChem (CID 114636558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).