2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid

C11H15N3O4 — CID 66421759

IUPAC2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1cc(C(=O)N2CCOC(CC(=O)O)C2)n[nH]1
InChIInChI=1S/C11H15N3O4/c1-7-4-9(13-12-7)11(17)14-2-3-18-8(6-14)5-10(15)16/h4,8H,2-3,5-6H2,1H3,(H,12,13)(H,15,16)
InChIKeyWWMMXHBGPNTJLS-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.03
Rot. Bonds3

About 2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid

2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 66421759) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid
PubChem CID66421759
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1cc(C(=O)N2CCOC(CC(=O)O)C2)n[nH]1
InChIInChI=1S/C11H15N3O4/c1-7-4-9(13-12-7)11(17)14-2-3-18-8(6-14)5-10(15)16/h4,8H,2-3,5-6H2,1H3,(H,12,13)(H,15,16)
InChIKeyWWMMXHBGPNTJLS-UHFFFAOYSA-N
XLogP0.03
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248125
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421729
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
2-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 115731600
1-[(4aR,8aR)-6-(5-methyl-1H-pyrazole-3-carbonyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]ethanone
CID 133139400
2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 136536333
2-[4-(4-bromo-1H-pyrrole-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421761
4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 119239685
2-[(2R)-4-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 124681582
2-[4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 102554769
2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 129401273

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid (CID 66421759) is 2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid is Cc1cc(C(=O)N2CCOC(CC(=O)O)C2)n[nH]1.
What is the InChIKey of 2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is WWMMXHBGPNTJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7-4-9(13-12-7)11(17)14-2-3-18-8(6-14)5-10(15)16/h4,8H,2-3,5-6H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 253.26 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66421759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).