2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid

C12H17N3O4 — CID 119248465

IUPAC2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
SMILESCCn1cc(C(=O)N2CCOC(CC(=O)O)C2)cn1
InChIInChI=1S/C12H17N3O4/c1-2-15-7-9(6-13-15)12(18)14-3-4-19-10(8-14)5-11(16)17/h6-7,10H,2-5,8H2,1H3,(H,16,17)
InChIKeyZYSLPAMGHUNNDM-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.22
Rot. Bonds4

About 2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid

2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 119248465) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
PubChem CID119248465
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
SMILESCCn1cc(C(=O)N2CCOC(CC(=O)O)C2)cn1
InChIInChI=1S/C12H17N3O4/c1-2-15-7-9(6-13-15)12(18)14-3-4-19-10(8-14)5-11(16)17/h6-7,10H,2-5,8H2,1H3,(H,16,17)
InChIKeyZYSLPAMGHUNNDM-UHFFFAOYSA-N
XLogP0.22
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-4-(1-tert-butylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124682530
2-[(2S)-4-(1-tert-butylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124682528
2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 124705038
2-[4-(6-ethoxypyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 119248952
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-ethylpyrazol-4-yl)methanone
CID 56755726
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66420959
2-[4-[1-ethyl-5-(trifluoromethyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248051
2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 102810250
2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421949
2-[(2S)-4-(4-bromo-1-ethylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515313
(1-ethylpyrazol-4-yl)-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 110113502

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid (CID 119248465) is 2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid is CCn1cc(C(=O)N2CCOC(CC(=O)O)C2)cn1.
What is the InChIKey of 2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is ZYSLPAMGHUNNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-15-7-9(6-13-15)12(18)14-3-4-19-10(8-14)5-11(16)17/h6-7,10H,2-5,8H2,1H3,(H,16,17).
What are the key properties of 2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).