5-(2-amino-5-methoxybenzoyl)-2-(cyclohexanecarbonyl)-3,4-dihydropyrazole-3-carboxylic acid

C19H23N3O5 — CID 11176244

IUPAC5-(2-amino-5-methoxybenzoyl)-2-(cyclohexanecarbonyl)-3,4-dihydropyrazole-3-carboxylic acid
SMILESCOc1ccc(N)c(C(=O)C2=NN(C(=O)C3CCCCC3)C(C(=O)O)C2)c1
InChIInChI=1S/C19H23N3O5/c1-27-12-7-8-14(20)13(9-12)17(23)15-10-16(19(25)26)22(21-15)18(24)11-5-3-2-4-6-11/h7-9,11,16H,2-6,10,20H2,1H3,(H,25,26)
InChIKeyVMXXRMXAWSUPEE-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.08
Rot. Bonds5

About 5-(2-amino-5-methoxybenzoyl)-2-(cyclohexanecarbonyl)-3,4-dihydropyrazole-3-carboxylic acid

5-(2-amino-5-methoxybenzoyl)-2-(cyclohexanecarbonyl)-3,4-dihydropyrazole-3-carboxylic acid (PubChem CID 11176244) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 5-(2-amino-5-methoxybenzoyl)-2-(cyclohexanecarbonyl)-3,4-dihydropyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-amino-5-methoxybenzoyl)-2-(cyclohexanecarbonyl)-3,4-dihydropyrazole-3-carboxylic acid
PubChem CID11176244
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name5-(2-amino-5-methoxybenzoyl)-2-(cyclohexanecarbonyl)-3,4-dihydropyrazole-3-carboxylic acid
SMILESCOc1ccc(N)c(C(=O)C2=NN(C(=O)C3CCCCC3)C(C(=O)O)C2)c1
InChIInChI=1S/C19H23N3O5/c1-27-12-7-8-14(20)13(9-12)17(23)15-10-16(19(25)26)22(21-15)18(24)11-5-3-2-4-6-11/h7-9,11,16H,2-6,10,20H2,1H3,(H,25,26)
InChIKeyVMXXRMXAWSUPEE-UHFFFAOYSA-N
XLogP2.08
TPSA122.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(2-amino-5-methoxybenzoyl)-2-(cyclohexanecarbonyl)-3,4-dihydropyrazole-3-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

ethyl 5-(2-amino-5-methoxybenzoyl)-2-(cyclohexanecarbonyl)-3,4-dihydropyrazole-3-carboxylate
CID 11361613
(2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid
CID 115413469
ethyl 5-(2-amino-5-methoxybenzoyl)-2-ethyl-3,4-dihydropyrazole-3-carboxylate
CID 44563775
(2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone
CID 116602543
2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115413375
N-[3-(2-amino-5-methoxyphenyl)-3-oxopropyl]cyclohexanecarboxamide
CID 11681048
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
CID 61106425
(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 105485471
2-amino-5-methoxy-N-piperidin-1-ylbenzamide
CID 83013031
1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 82546755
5-methoxy-2-piperidin-1-ylbenzoic acid
CID 70528238

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-methoxybenzoyl)-2-(cyclohexanecarbonyl)-3,4-dihydropyrazole-3-carboxylic acid?
The IUPAC name of 5-(2-amino-5-methoxybenzoyl)-2-(cyclohexanecarbonyl)-3,4-dihydropyrazole-3-carboxylic acid (CID 11176244) is 5-(2-amino-5-methoxybenzoyl)-2-(cyclohexanecarbonyl)-3,4-dihydropyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-amino-5-methoxybenzoyl)-2-(cyclohexanecarbonyl)-3,4-dihydropyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2-amino-5-methoxybenzoyl)-2-(cyclohexanecarbonyl)-3,4-dihydropyrazole-3-carboxylic acid is COc1ccc(N)c(C(=O)C2=NN(C(=O)C3CCCCC3)C(C(=O)O)C2)c1.
What is the InChIKey of 5-(2-amino-5-methoxybenzoyl)-2-(cyclohexanecarbonyl)-3,4-dihydropyrazole-3-carboxylic acid?
The InChIKey is VMXXRMXAWSUPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-27-12-7-8-14(20)13(9-12)17(23)15-10-16(19(25)26)22(21-15)18(24)11-5-3-2-4-6-11/h7-9,11,16H,2-6,10,20H2,1H3,(H,25,26).
What are the key properties of 5-(2-amino-5-methoxybenzoyl)-2-(cyclohexanecarbonyl)-3,4-dihydropyrazole-3-carboxylic acid?
5-(2-amino-5-methoxybenzoyl)-2-(cyclohexanecarbonyl)-3,4-dihydropyrazole-3-carboxylic acid has a molecular weight of 373.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-methoxybenzoyl)-2-(cyclohexanecarbonyl)-3,4-dihydropyrazole-3-carboxylic acid is sourced from PubChem (CID 11176244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).