2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid

C15H23N3O4 — CID 124684475

IUPAC2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
SMILESCCCn1nc(C)c(C(=O)N2CCO[C@@H](CC(=O)O)C2)c1C
InChIInChI=1S/C15H23N3O4/c1-4-5-18-11(3)14(10(2)16-18)15(21)17-6-7-22-12(9-17)8-13(19)20/h12H,4-9H2,1-3H3,(H,19,20)/t12-/m0/s1
InChIKeyCNGDKJOZCGPPPL-LBPRGKRZSA-N
MW309.37 g/mol
LogP1.23
Rot. Bonds5

About 2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid

2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 124684475) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
PubChem CID124684475
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
SMILESCCCn1nc(C)c(C(=O)N2CCO[C@@H](CC(=O)O)C2)c1C
InChIInChI=1S/C15H23N3O4/c1-4-5-18-11(3)14(10(2)16-18)15(21)17-6-7-22-12(9-17)8-13(19)20/h12H,4-9H2,1-3H3,(H,19,20)/t12-/m0/s1
InChIKeyCNGDKJOZCGPPPL-LBPRGKRZSA-N
XLogP1.23
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-4-(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124698603
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124953737
2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421729
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 119413051
(3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 119381314
2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 129401273
2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119248048
2-[(2S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 124515375
2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 66420176
2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 102810250
2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82798384
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 125022683

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid (CID 124684475) is 2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid is CCCn1nc(C)c(C(=O)N2CCO[C@@H](CC(=O)O)C2)c1C.
What is the InChIKey of 2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is CNGDKJOZCGPPPL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-4-5-18-11(3)14(10(2)16-18)15(21)17-6-7-22-12(9-17)8-13(19)20/h12H,4-9H2,1-3H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid?
2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 309.37 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 124684475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).