4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid

C14H21N3O4 — CID 119216253

IUPAC4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid
SMILESCc1nn(C)c(C)c1C(C)C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C14H21N3O4/c1-8(12-9(2)15-16(4)10(12)3)13(18)17-5-6-21-7-11(17)14(19)20/h8,11H,5-7H2,1-4H3,(H,19,20)
InChIKeyRCPIZMBFJFRPEJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.45
Rot. Bonds3

About 4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid

4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid (PubChem CID 119216253) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid
PubChem CID119216253
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid
SMILESCc1nn(C)c(C)c1C(C)C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C14H21N3O4/c1-8(12-9(2)15-16(4)10(12)3)13(18)17-5-6-21-7-11(17)14(19)20/h8,11H,5-7H2,1-4H3,(H,19,20)
InChIKeyRCPIZMBFJFRPEJ-UHFFFAOYSA-N
XLogP0.45
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372128
1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid
CID 119175927
(3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid
CID 125153746
4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid
CID 136551289
(3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125153512
2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119248048
(2S)-1-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 100837829
4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid
CID 106312457
(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 94820032
(3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125119447
(3S)-4-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 124513546
(2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride
CID 120874002

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid (CID 119216253) is 4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid is Cc1nn(C)c(C)c1C(C)C(=O)N1CCOCC1C(=O)O.
What is the InChIKey of 4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid?
The InChIKey is RCPIZMBFJFRPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-8(12-9(2)15-16(4)10(12)3)13(18)17-5-6-21-7-11(17)14(19)20/h8,11H,5-7H2,1-4H3,(H,19,20).
What are the key properties of 4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid?
4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).