4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid

C11H17N3O3 — CID 103004849

IUPAC4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid
SMILESCn1cc(CCN2CCOCC2C(=O)O)cn1
InChIInChI=1S/C11H17N3O3/c1-13-7-9(6-12-13)2-3-14-4-5-17-8-10(14)11(15)16/h6-7,10H,2-5,8H2,1H3,(H,15,16)
InChIKeyKVAVGUJKYFWZQM-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.25
Rot. Bonds4

About 4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid

4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid (PubChem CID 103004849) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid
PubChem CID103004849
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid
SMILESCn1cc(CCN2CCOCC2C(=O)O)cn1
InChIInChI=1S/C11H17N3O3/c1-13-7-9(6-12-13)2-3-14-4-5-17-8-10(14)11(15)16/h6-7,10H,2-5,8H2,1H3,(H,15,16)
InChIKeyKVAVGUJKYFWZQM-UHFFFAOYSA-N
XLogP-0.25
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(1-methylpyrazol-4-yl)ethyl]morpholin-3-yl]methanol
CID 104877516
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid
CID 107072171
4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid
CID 82389048
1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3,4-dicarboxylic acid
CID 103004943
4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 103004815
4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 83106155
4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119216233
(3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
CID 97484662
2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-3-carboxylic acid
CID 103005136
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]butanoic acid
CID 103004675
2-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxylic acid
CID 103019561
3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide
CID 102548376

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid (CID 103004849) is 4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid is Cn1cc(CCN2CCOCC2C(=O)O)cn1.
What is the InChIKey of 4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid?
The InChIKey is KVAVGUJKYFWZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-13-7-9(6-12-13)2-3-14-4-5-17-8-10(14)11(15)16/h6-7,10H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid?
4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 103004849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).