4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid

C13H19N3O4 — CID 136551289

IUPAC4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid
SMILESCc1nn(C(C)C)cc1C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C13H19N3O4/c1-8(2)16-6-10(9(3)14-16)12(17)15-4-5-20-7-11(15)13(18)19/h6,8,11H,4-5,7H2,1-3H3,(H,18,19)
InChIKeyNMMGFDIOBFTIJC-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.70
Rot. Bonds3

About 4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid

4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid (PubChem CID 136551289) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid
PubChem CID136551289
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid
SMILESCc1nn(C(C)C)cc1C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C13H19N3O4/c1-8(2)16-6-10(9(3)14-16)12(17)15-4-5-20-7-11(15)13(18)19/h6,8,11H,4-5,7H2,1-3H3,(H,18,19)
InChIKeyNMMGFDIOBFTIJC-UHFFFAOYSA-N
XLogP0.70
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid
CID 120521790
4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid
CID 113439193
(3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid
CID 124513696
4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 115730889
(3S)-4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]morpholine-3-carboxylic acid
CID 125133041
4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid
CID 119216253
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
(3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid
CID 125153746
2-[4-(1,3-dimethylpyrazole-4-carbonyl)morpholin-3-yl]acetic acid
CID 102801314
(3S)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholine-3-carboxylic acid
CID 125150361
4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 114036870
(3S)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholine-3-carboxylic acid
CID 125118663

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid (CID 136551289) is 4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid is Cc1nn(C(C)C)cc1C(=O)N1CCOCC1C(=O)O.
What is the InChIKey of 4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is NMMGFDIOBFTIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8(2)16-6-10(9(3)14-16)12(17)15-4-5-20-7-11(15)13(18)19/h6,8,11H,4-5,7H2,1-3H3,(H,18,19).
What are the key properties of 4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid?
4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 136551289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).