methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate

C11H18N2O3 — CID 112671090

IUPACmethyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate
SMILESCCc1nn(C)cc1C(O)C(C)C(=O)OC
InChIInChI=1S/C11H18N2O3/c1-5-9-8(6-13(3)12-9)10(14)7(2)11(15)16-4/h6-7,10,14H,5H2,1-4H3
InChIKeyLXMRXTQLMQJRHZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.82
Rot. Bonds4

About methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate

methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate (PubChem CID 112671090) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate
PubChem CID112671090
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namemethyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate
SMILESCCc1nn(C)cc1C(O)C(C)C(=O)OC
InChIInChI=1S/C11H18N2O3/c1-5-9-8(6-13(3)12-9)10(14)7(2)11(15)16-4/h6-7,10,14H,5H2,1-4H3
InChIKeyLXMRXTQLMQJRHZ-UHFFFAOYSA-N
XLogP0.82
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate
CID 112669747
4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 112670850
methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate
CID 103955778
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 124679700
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
[1-(3-ethyl-1-methylpyrazol-4-yl)-2-methylprop-2-enyl]hydrazine
CID 102813156
methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate
CID 112671468
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate
CID 115990144
(3S)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 96758684
propyl 4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxybutanoate
CID 112670847
2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide
CID 112671060
methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate
CID 104964317

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate (CID 112671090) is methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate is CCc1nn(C)cc1C(O)C(C)C(=O)OC.
What is the InChIKey of methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate?
The InChIKey is LXMRXTQLMQJRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-9-8(6-13(3)12-9)10(14)7(2)11(15)16-4/h6-7,10,14H,5H2,1-4H3.
What are the key properties of methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate?
methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate has a molecular weight of 226.28 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate is sourced from PubChem (CID 112671090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).