ethyl 3-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxylate

C10H16N2O3 — CID 12520030

IUPACethyl 3-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(CCO)nn(C)c1C
InChIInChI=1S/C10H16N2O3/c1-4-15-10(14)9-7(2)12(3)11-8(9)5-6-13/h13H,4-6H2,1-3H3
InChIKeyIYMRVDOOKXISCT-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.44
Rot. Bonds4

About ethyl 3-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxylate

ethyl 3-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxylate (PubChem CID 12520030) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 3-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxylate
PubChem CID12520030
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 3-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(CCO)nn(C)c1C
InChIInChI=1S/C10H16N2O3/c1-4-15-10(14)9-7(2)12(3)11-8(9)5-6-13/h13H,4-6H2,1-3H3
InChIKeyIYMRVDOOKXISCT-UHFFFAOYSA-N
XLogP0.44
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
Ethyl 3-(difluoromethyl)-5-ethyl-1-methylpyrazole-4-carboxylate
CID 141285342
Ethyl 4-(hydroxymethyl)-5-methyl-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 164002512
Ethyl 3-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 172593047
Ethyl 5-(1-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxylate
CID 12520025
Ethyl 1-(2-ethoxy-2-oxoethyl)-5-(1-hydroxyethyl)-3-methylpyrazole-4-carboxylate
CID 12677009
2,3-Dimethyl-6,7-dihydropyrano[4,3-c]pyrazol-4-one
CID 340068
2,3,6,6-tetramethyl-7H-pyrano[4,3-c]pyrazol-4-one
CID 340069
Ethyl 3-(hydroxymethyl)-1,5-dimethyl-1h-pyrazole-4-carboxylate
CID 12520028
1-[3-(2-Hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone
CID 22966457
1-[5-(2-Hydroxypropyl)-1,3-dimethylpyrazol-4-yl]ethanone
CID 22966458

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxylate (CID 12520030) is ethyl 3-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxylate is CCOC(=O)c1c(CCO)nn(C)c1C.
What is the InChIKey of ethyl 3-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxylate?
The InChIKey is IYMRVDOOKXISCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-15-10(14)9-7(2)12(3)11-8(9)5-6-13/h13H,4-6H2,1-3H3.
What are the key properties of ethyl 3-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxylate?
ethyl 3-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 12520030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).