5-[methoxy(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

C18H21N3O4 — CID 166299853

IUPAC5-[methoxy(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCON(CC1CCCc2ccccc21)C(=O)c1c(C(=O)O)cnn1C
InChIInChI=1S/C18H21N3O4/c1-20-16(15(10-19-20)18(23)24)17(22)21(25-2)11-13-8-5-7-12-6-3-4-9-14(12)13/h3-4,6,9-10,13H,5,7-8,11H2,1-2H3,(H,23,24)
InChIKeyWMIGTKMXPVTNDO-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.24
Rot. Bonds5

About 5-[methoxy(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

5-[methoxy(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 166299853) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-[methoxy(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[methoxy(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID166299853
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name5-[methoxy(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCON(CC1CCCc2ccccc21)C(=O)c1c(C(=O)O)cnn1C
InChIInChI=1S/C18H21N3O4/c1-20-16(15(10-19-20)18(23)24)17(22)21(25-2)11-13-8-5-7-12-6-3-4-9-14(12)13/h3-4,6,9-10,13H,5,7-8,11H2,1-2H3,(H,23,24)
InChIKeyWMIGTKMXPVTNDO-UHFFFAOYSA-N
XLogP2.24
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[methoxy(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carboxamide
CID 126768716
1-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
CID 154846844
1-methyl-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
CID 166284928
methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate
CID 63770956
5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19623720
3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 153125872
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid
CID 65172704
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 79197981
5-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631342
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid
CID 79104229
1-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)pyrazole
CID 116793965
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol
CID 63771637

Frequently Asked Questions

What is the IUPAC name of 5-[methoxy(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[methoxy(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 166299853) is 5-[methoxy(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[methoxy(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[methoxy(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is CON(CC1CCCc2ccccc21)C(=O)c1c(C(=O)O)cnn1C.
What is the InChIKey of 5-[methoxy(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is WMIGTKMXPVTNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-20-16(15(10-19-20)18(23)24)17(22)21(25-2)11-13-8-5-7-12-6-3-4-9-14(12)13/h3-4,6,9-10,13H,5,7-8,11H2,1-2H3,(H,23,24).
What are the key properties of 5-[methoxy(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
5-[methoxy(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methoxy(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 166299853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).