methyl 4-(1H-pyrazole-5-carbonylamino)benzoate

C12H11N3O3 — CID 6486698

IUPACmethyl 4-(1H-pyrazole-5-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C12H11N3O3/c1-18-12(17)8-2-4-9(5-3-8)14-11(16)10-6-7-13-15-10/h2-7H,1H3,(H,13,15)(H,14,16)
InChIKeyAHWNBROQVGTWSD-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.45
Rot. Bonds3

About methyl 4-(1H-pyrazole-5-carbonylamino)benzoate

methyl 4-(1H-pyrazole-5-carbonylamino)benzoate (PubChem CID 6486698) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is methyl 4-(1H-pyrazole-5-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(1H-pyrazole-5-carbonylamino)benzoate
PubChem CID6486698
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Namemethyl 4-(1H-pyrazole-5-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C12H11N3O3/c1-18-12(17)8-2-4-9(5-3-8)14-11(16)10-6-7-13-15-10/h2-7H,1H3,(H,13,15)(H,14,16)
InChIKeyAHWNBROQVGTWSD-UHFFFAOYSA-N
XLogP1.45
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-(1H-pyrazole-5-carbonylamino)benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1H-pyrazole-5-carbonylamino)benzoate?
The IUPAC name of methyl 4-(1H-pyrazole-5-carbonylamino)benzoate (CID 6486698) is methyl 4-(1H-pyrazole-5-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-(1H-pyrazole-5-carbonylamino)benzoate?
The canonical SMILES for methyl 4-(1H-pyrazole-5-carbonylamino)benzoate is COC(=O)c1ccc(NC(=O)c2ccn[nH]2)cc1.
What is the InChIKey of methyl 4-(1H-pyrazole-5-carbonylamino)benzoate?
The InChIKey is AHWNBROQVGTWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-18-12(17)8-2-4-9(5-3-8)14-11(16)10-6-7-13-15-10/h2-7H,1H3,(H,13,15)(H,14,16).
What are the key properties of methyl 4-(1H-pyrazole-5-carbonylamino)benzoate?
methyl 4-(1H-pyrazole-5-carbonylamino)benzoate has a molecular weight of 245.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1H-pyrazole-5-carbonylamino)benzoate is sourced from PubChem (CID 6486698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).