2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid

C14H23N3O3 — CID 79172170

IUPAC2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCCN1CCOC(Cn2nc(C)c(CC(=O)O)c2C)C1
InChIInChI=1S/C14H23N3O3/c1-4-16-5-6-20-12(8-16)9-17-11(3)13(7-14(18)19)10(2)15-17/h12H,4-9H2,1-3H3,(H,18,19)
InChIKeyYHHGKZWVQIWFDH-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.85
Rot. Bonds5

About 2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid

2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid (PubChem CID 79172170) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
PubChem CID79172170
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCCN1CCOC(Cn2nc(C)c(CC(=O)O)c2C)C1
InChIInChI=1S/C14H23N3O3/c1-4-16-5-6-20-12(8-16)9-17-11(3)13(7-14(18)19)10(2)15-17/h12H,4-9H2,1-3H3,(H,18,19)
InChIKeyYHHGKZWVQIWFDH-UHFFFAOYSA-N
XLogP0.85
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid
CID 64534338
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine
CID 95352400
2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid
CID 79172074
3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid
CID 79171673
3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426355
5-(2-aminoethyl)-1-[(4-ethylmorpholin-2-yl)methyl]triazole-4-carboxylic acid
CID 103119379
3-[(4-ethylmorpholin-2-yl)methyl]benzotriazole-5-carboxylic acid
CID 114400330
2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 114401293
1-(4-ethylmorpholin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 78946770
4-ethyl-3,5-dimethyl-1-(oxiran-2-ylmethyl)pyrazole
CID 61236679
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 114400408
[3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine
CID 62550168

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid (CID 79172170) is 2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid is CCN1CCOC(Cn2nc(C)c(CC(=O)O)c2C)C1.
What is the InChIKey of 2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
The InChIKey is YHHGKZWVQIWFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-16-5-6-20-12(8-16)9-17-11(3)13(7-14(18)19)10(2)15-17/h12H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid has a molecular weight of 281.36 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 79172170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).