ethyl 5-(1-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxylate

C10H16N2O3 — CID 12520025

IUPACethyl 5-(1-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(C)c1C(C)O
InChIInChI=1S/C10H16N2O3/c1-5-15-10(14)8-6(2)11-12(4)9(8)7(3)13/h7,13H,5H2,1-4H3
InChIKeyIZQVFHRLEOOXCJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.96
Rot. Bonds3

About ethyl 5-(1-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxylate

ethyl 5-(1-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxylate (PubChem CID 12520025) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 5-(1-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxylate
PubChem CID12520025
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 5-(1-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(C)c1C(C)O
InChIInChI=1S/C10H16N2O3/c1-5-15-10(14)8-6(2)11-12(4)9(8)7(3)13/h7,13H,5H2,1-4H3
InChIKeyIZQVFHRLEOOXCJ-UHFFFAOYSA-N
XLogP0.96
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxylic acid
CID 82601243
1,5-Dimethyl-4-methoxycarbonyl-1h-pyrazole-3-carboxylic acid
CID 10535943
1-Methyl-3-(difluoromethyl)-5-(pentafluoroethyl)-1H-pyrazole-4-carboxylic acid ethyl ester
CID 71770125
3,5-diethyl-1-methyl-1H-pyrazole-4-carboxylic acid
CID 42669878
2-methyl-2H,4H,6H,7H-pyrano(4,3-c)pyrazole-3-carboxylic acid
CID 83680022
4-Ethoxycarbonyl-5-(1-hydroxymethyl)-1,3-dimethylpyrazole
CID 12520024
Ethyl 3-(difluoromethyl)-5-ethyl-1-methylpyrazole-4-carboxylate
CID 141285342
Ethyl 3-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 172593047
Ethyl 5-acetyl-1,3-dimethylpyrazole-4-carboxylate
CID 12425044
Ethyl 1-(2-ethoxy-2-oxoethyl)-5-(hydroxymethyl)-3-methylpyrazole-4-carboxylate
CID 12677008
Ethyl 1-(2-ethoxy-2-oxoethyl)-5-(1-hydroxyethyl)-3-methylpyrazole-4-carboxylate
CID 12677009
Ethyl 1-methyl-5-(1,2,2,2-tetrafluoro-1-hydroxyethyl)pyrazole-4-carboxylate
CID 162546306

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(1-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxylate (CID 12520025) is ethyl 5-(1-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(1-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(1-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxylate is CCOC(=O)c1c(C)nn(C)c1C(C)O.
What is the InChIKey of ethyl 5-(1-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxylate?
The InChIKey is IZQVFHRLEOOXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5-15-10(14)8-6(2)11-12(4)9(8)7(3)13/h7,13H,5H2,1-4H3.
What are the key properties of ethyl 5-(1-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxylate?
ethyl 5-(1-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 12520025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).