1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid

C13H20N4O4 — CID 19624113

IUPAC1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid
SMILESCn1cc(C(=O)NCCCN2CCOCC2)c(C(=O)O)n1
InChIInChI=1S/C13H20N4O4/c1-16-9-10(11(15-16)13(19)20)12(18)14-3-2-4-17-5-7-21-8-6-17/h9H,2-8H2,1H3,(H,14,18)(H,19,20)
InChIKeyOQZCAMAJGZZISS-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.43
Rot. Bonds6

About 1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid

1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid (PubChem CID 19624113) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid
PubChem CID19624113
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid
SMILESCn1cc(C(=O)NCCCN2CCOCC2)c(C(=O)O)n1
InChIInChI=1S/C13H20N4O4/c1-16-9-10(11(15-16)13(19)20)12(18)14-3-2-4-17-5-7-21-8-6-17/h9H,2-8H2,1H3,(H,14,18)(H,19,20)
InChIKeyOQZCAMAJGZZISS-UHFFFAOYSA-N
XLogP-0.43
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624075
1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624112
N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
CID 2827797
4-amino-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide
CID 132586431
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
4-[3-(4-bromo-3-methylpyrazol-1-yl)propylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500308
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 19266741
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162858
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
3-amino-N-(3-morpholin-4-ylpropyl)pyridine-4-carboxamide
CID 105068500

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid (CID 19624113) is 1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid is Cn1cc(C(=O)NCCCN2CCOCC2)c(C(=O)O)n1.
What is the InChIKey of 1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid?
The InChIKey is OQZCAMAJGZZISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-16-9-10(11(15-16)13(19)20)12(18)14-3-2-4-17-5-7-21-8-6-17/h9H,2-8H2,1H3,(H,14,18)(H,19,20).
What are the key properties of 1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid?
1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of -0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 19624113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).