methyl 1-ethyl-4-(2-hydroxyethyl)pyrazole-3-carboxylate

C9H14N2O3 — CID 55267987

IUPACmethyl 1-ethyl-4-(2-hydroxyethyl)pyrazole-3-carboxylate
SMILESCCn1cc(CCO)c(C(=O)OC)n1
InChIInChI=1S/C9H14N2O3/c1-3-11-6-7(4-5-12)8(10-11)9(13)14-2/h6,12H,3-5H2,1-2H3
InChIKeyXZSWAFIVVKLDFZ-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.22
Rot. Bonds4

About methyl 1-ethyl-4-(2-hydroxyethyl)pyrazole-3-carboxylate

methyl 1-ethyl-4-(2-hydroxyethyl)pyrazole-3-carboxylate (PubChem CID 55267987) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl 1-ethyl-4-(2-hydroxyethyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-4-(2-hydroxyethyl)pyrazole-3-carboxylate
PubChem CID55267987
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Namemethyl 1-ethyl-4-(2-hydroxyethyl)pyrazole-3-carboxylate
SMILESCCn1cc(CCO)c(C(=O)OC)n1
InChIInChI=1S/C9H14N2O3/c1-3-11-6-7(4-5-12)8(10-11)9(13)14-2/h6,12H,3-5H2,1-2H3
InChIKeyXZSWAFIVVKLDFZ-UHFFFAOYSA-N
XLogP0.22
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-4-(2-hydroxyethyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 1-ethyl-4-(2-hydroxyethyl)pyrazole-3-carboxylate (CID 55267987) is methyl 1-ethyl-4-(2-hydroxyethyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-ethyl-4-(2-hydroxyethyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-ethyl-4-(2-hydroxyethyl)pyrazole-3-carboxylate is CCn1cc(CCO)c(C(=O)OC)n1.
What is the InChIKey of methyl 1-ethyl-4-(2-hydroxyethyl)pyrazole-3-carboxylate?
The InChIKey is XZSWAFIVVKLDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-11-6-7(4-5-12)8(10-11)9(13)14-2/h6,12H,3-5H2,1-2H3.
What are the key properties of methyl 1-ethyl-4-(2-hydroxyethyl)pyrazole-3-carboxylate?
methyl 1-ethyl-4-(2-hydroxyethyl)pyrazole-3-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-4-(2-hydroxyethyl)pyrazole-3-carboxylate is sourced from PubChem (CID 55267987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).