2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid

C12H17N3O4 — CID 66421729

IUPAC2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1cc(C(=O)N2CCOC(CC(=O)O)C2)n(C)n1
InChIInChI=1S/C12H17N3O4/c1-8-5-10(14(2)13-8)12(18)15-3-4-19-9(7-15)6-11(16)17/h5,9H,3-4,6-7H2,1-2H3,(H,16,17)
InChIKeyKNKUIQVJORDPMD-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.04
Rot. Bonds3

About 2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid

2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 66421729) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
PubChem CID66421729
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1cc(C(=O)N2CCOC(CC(=O)O)C2)n(C)n1
InChIInChI=1S/C12H17N3O4/c1-8-5-10(14(2)13-8)12(18)15-3-4-19-9(7-15)6-11(16)17/h5,9H,3-4,6-7H2,1-2H3,(H,16,17)
InChIKeyKNKUIQVJORDPMD-UHFFFAOYSA-N
XLogP0.04
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-dimethylpyrazole-3-carbonyl)morpholine-2-carbothioamide
CID 79674499
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421759
2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781
2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-2-yl]acetic acid
CID 104669797
2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid
CID 125153681
2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124684475
2-[4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 120527656
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
[2-(bromomethyl)morpholin-4-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 81210351
[2-(aminomethyl)morpholin-4-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66121292
2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 102810250

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid (CID 66421729) is 2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid is Cc1cc(C(=O)N2CCOC(CC(=O)O)C2)n(C)n1.
What is the InChIKey of 2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is KNKUIQVJORDPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8-5-10(14(2)13-8)12(18)15-3-4-19-9(7-15)6-11(16)17/h5,9H,3-4,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66421729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).