methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate

C15H17N3O4 — CID 95749076

IUPACmethyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cccc(OC)c2)c(C)nn1C
InChIInChI=1S/C15H17N3O4/c1-9-12(13(15(20)22-4)18(2)17-9)16-14(19)10-6-5-7-11(8-10)21-3/h5-8H,1-4H3,(H,16,19)
InChIKeyWHLYQTOJISKXDF-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.78
Rot. Bonds4

About methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate

methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate (PubChem CID 95749076) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
PubChem CID95749076
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Namemethyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cccc(OC)c2)c(C)nn1C
InChIInChI=1S/C15H17N3O4/c1-9-12(13(15(20)22-4)18(2)17-9)16-14(19)10-6-5-7-11(8-10)21-3/h5-8H,1-4H3,(H,16,19)
InChIKeyWHLYQTOJISKXDF-UHFFFAOYSA-N
XLogP1.78
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate 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

methyl 4-[(3-bromobenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749063
methyl 2-[[4-[(3-methoxybenzoyl)amino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate
CID 19406621
methyl 1,3-dimethyl-4-[(2,3,4,5,6-pentafluorobenzoyl)amino]pyrazole-5-carboxylate
CID 95749126
methyl 1,3-dimethyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylate
CID 95749034
methyl 4-[(2-iodobenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749120
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-methoxybenzoate
CID 8648379
3-methoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535277
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-methoxybenzamide
CID 134797678
methyl 4-(1,2,4-benzotriazine-3-carbonylamino)-1,3-dimethylpyrazole-5-carboxylate
CID 95748937
3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide
CID 22434337
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-methoxybenzamide
CID 19394052
N-(2-amino-4,6-dimethylphenyl)-3-methoxybenzamide
CID 56773263

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate (CID 95749076) is methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate is COC(=O)c1c(NC(=O)c2cccc(OC)c2)c(C)nn1C.
What is the InChIKey of methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate?
The InChIKey is WHLYQTOJISKXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-9-12(13(15(20)22-4)18(2)17-9)16-14(19)10-6-5-7-11(8-10)21-3/h5-8H,1-4H3,(H,16,19).
What are the key properties of methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate?
methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate is sourced from PubChem (CID 95749076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).