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

C14H15N3O5 — CID 119248125

IUPAC2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cc(-c3ccco3)[nH]n2)CCO1
InChIInChI=1S/C14H15N3O5/c18-13(19)6-9-8-17(3-5-21-9)14(20)11-7-10(15-16-11)12-2-1-4-22-12/h1-2,4,7,9H,3,5-6,8H2,(H,15,16)(H,18,19)
InChIKeyAZAZETJUNZAFLN-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.99
Rot. Bonds4

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

2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 119248125) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
PubChem CID119248125
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cc(-c3ccco3)[nH]n2)CCO1
InChIInChI=1S/C14H15N3O5/c18-13(19)6-9-8-17(3-5-21-9)14(20)11-7-10(15-16-11)12-2-1-4-22-12/h1-2,4,7,9H,3,5-6,8H2,(H,15,16)(H,18,19)
InChIKeyAZAZETJUNZAFLN-UHFFFAOYSA-N
XLogP0.99
TPSA108.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 119239257
(2R)-4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 129415638
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421759
[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 35554692
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 35555894
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541109
3-azabicyclo[4.1.0]heptan-3-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 166245024
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 43056712
1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118877
2-[4-(4-pyrazol-1-ylpyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 120527660
2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 136536333
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[(3S,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]methanone
CID 166294463

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholin-2-yl]acetic acid (CID 119248125) is 2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)c2cc(-c3ccco3)[nH]n2)CCO1.
What is the InChIKey of 2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is AZAZETJUNZAFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c18-13(19)6-9-8-17(3-5-21-9)14(20)11-7-10(15-16-11)12-2-1-4-22-12/h1-2,4,7,9H,3,5-6,8H2,(H,15,16)(H,18,19).
What are the key properties of 2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 305.29 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).