1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol

C9H15ClN2O2 — CID 114644164

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol
SMILESCCOCC(O)c1c(Cl)cnn1CC
InChIInChI=1S/C9H15ClN2O2/c1-3-12-9(7(10)5-11-12)8(13)6-14-4-2/h5,8,13H,3-4,6H2,1-2H3
InChIKeyRMDBQHYXRAIPQI-UHFFFAOYSA-N
MW218.68 g/mol
LogP1.63
Rot. Bonds5

About 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol

1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol (PubChem CID 114644164) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol
PubChem CID114644164
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol
SMILESCCOCC(O)c1c(Cl)cnn1CC
InChIInChI=1S/C9H15ClN2O2/c1-3-12-9(7(10)5-11-12)8(13)6-14-4-2/h5,8,13H,3-4,6H2,1-2H3
InChIKeyRMDBQHYXRAIPQI-UHFFFAOYSA-N
XLogP1.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)dodecan-1-ol
CID 115834843
1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol
CID 105128502
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dichlorophenyl)ethanol
CID 114643302
1-(4-chloro-1-ethylpyrazol-5-yl)-3-(diethylamino)propan-1-ol
CID 114644600
1-(4-chloro-1-ethylpyrazol-5-yl)-3-ethoxy-N-methylpropan-1-amine
CID 105183166
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
CID 114665852
1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol
CID 103449247
1-(4-chloro-1-ethylpyrazol-5-yl)-3,3-dimethylbutane-1,2-diol
CID 103457095
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol
CID 114638136
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
CID 115834899
(4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol
CID 105127770
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217778

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol (CID 114644164) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol is CCOCC(O)c1c(Cl)cnn1CC.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol?
The InChIKey is RMDBQHYXRAIPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2/c1-3-12-9(7(10)5-11-12)8(13)6-14-4-2/h5,8,13H,3-4,6H2,1-2H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol has a molecular weight of 218.68 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol is sourced from PubChem (CID 114644164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).