4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid

C15H14N4O6 — CID 119240073

IUPAC4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCO1
InChIInChI=1S/C15H14N4O6/c20-14(17-5-6-25-13(9-17)15(21)22)10-7-16-18(8-10)11-1-3-12(4-2-11)19(23)24/h1-4,7-8,13H,5-6,9H2,(H,21,22)
InChIKeyHCYSPRNWAZOGMT-UHFFFAOYSA-N
MW346.30 g/mol
LogP0.71
Rot. Bonds4

About 4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid

4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid (PubChem CID 119240073) has the molecular formula C15H14N4O6 and a molecular weight of 346.30 g/mol. Its IUPAC name is 4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
PubChem CID119240073
Molecular FormulaC15H14N4O6
Molecular Weight346.30 g/mol
Exact Mass346.09
IUPAC Name4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCO1
InChIInChI=1S/C15H14N4O6/c20-14(17-5-6-25-13(9-17)15(21)22)10-7-16-18(8-10)11-1-3-12(4-2-11)19(23)24/h1-4,7-8,13H,5-6,9H2,(H,21,22)
InChIKeyHCYSPRNWAZOGMT-UHFFFAOYSA-N
XLogP0.71
TPSA127.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid
CID 129415319
(3-methylpiperazin-1-yl)-[1-(4-nitrophenyl)pyrazol-4-yl]methanone
CID 119578902
[4-(methylamino)piperidin-1-yl]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119562237
(2R,3R)-2-methyl-1-[1-(4-nitrophenyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122115499
[4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone
CID 111430040
4-(3-fluoro-4-nitrobenzoyl)morpholine-2-carboxylic acid
CID 62681609
2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 124705038
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone
CID 55699983
4-[4-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxylic acid
CID 119357981
4-(5-nitro-1H-indazole-3-carbonyl)morpholine-2-carboxylic acid
CID 119239312
(2-methylpiperazin-1-yl)-[1-(4-nitrophenyl)pyrazol-4-yl]methanone
CID 119472078
(2-ethylmorpholin-4-yl)-(1-pyridin-4-ylpyrazol-4-yl)methanone
CID 154797843

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid (CID 119240073) is 4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCO1.
What is the InChIKey of 4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is HCYSPRNWAZOGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O6/c20-14(17-5-6-25-13(9-17)15(21)22)10-7-16-18(8-10)11-1-3-12(4-2-11)19(23)24/h1-4,7-8,13H,5-6,9H2,(H,21,22).
What are the key properties of 4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid?
4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 346.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-nitrophenyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119240073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).