methyl 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]propanoate

C11H18N2O3 — CID 170887419

IUPACmethyl 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]propanoate
SMILESCOC(=O)C(C)n1nc(C)c(CCO)c1C
InChIInChI=1S/C11H18N2O3/c1-7-10(5-6-14)8(2)13(12-7)9(3)11(15)16-4/h9,14H,5-6H2,1-4H3
InChIKeyBSGZABFTRJUVMK-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.77
Rot. Bonds4

About methyl 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]propanoate

methyl 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]propanoate (PubChem CID 170887419) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is methyl 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]propanoate
PubChem CID170887419
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namemethyl 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]propanoate
SMILESCOC(=O)C(C)n1nc(C)c(CCO)c1C
InChIInChI=1S/C11H18N2O3/c1-7-10(5-6-14)8(2)13(12-7)9(3)11(15)16-4/h9,14H,5-6H2,1-4H3
InChIKeyBSGZABFTRJUVMK-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294632
3-[5-cyclopropyl-4-(2-hydroxyethyl)-3-methylpyrazol-1-yl]butan-2-one
CID 144506281
methyl 2-(3,5-dimethyl-1,2,4-triazol-1-yl)propanoate
CID 60748089
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine
CID 23005875
methyl 2-(4,5-dimethylimidazol-1-yl)propanoate
CID 62350544
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)butanoate
CID 64662065
2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol
CID 75505877
methyl 2-(5-methyl-4-trimethylsilyltriazol-1-yl)propanoate
CID 66839353
ethyl 2-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61380918
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-phenylacetate
CID 106676934
2-[1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294462
methyl (2R)-2-(3,5-diethyl-1,2,4-triazol-1-yl)propanoate
CID 107427744

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]propanoate?
The IUPAC name of methyl 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]propanoate (CID 170887419) is methyl 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]propanoate.
What is the SMILES notation for methyl 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]propanoate?
The canonical SMILES for methyl 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]propanoate is COC(=O)C(C)n1nc(C)c(CCO)c1C.
What is the InChIKey of methyl 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]propanoate?
The InChIKey is BSGZABFTRJUVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7-10(5-6-14)8(2)13(12-7)9(3)11(15)16-4/h9,14H,5-6H2,1-4H3.
What are the key properties of methyl 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]propanoate?
methyl 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]propanoate has a molecular weight of 226.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]propanoate is sourced from PubChem (CID 170887419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).