methyl 2-carbamoyl-5-(2-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate

C13H14ClN3O3 — CID 152615192

IUPACmethyl 2-carbamoyl-5-(2-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate
SMILESCOC(=O)C1(C)CN(C(N)=O)N=C1c1ccccc1Cl
InChIInChI=1S/C13H14ClN3O3/c1-13(11(18)20-2)7-17(12(15)19)16-10(13)8-5-3-4-6-9(8)14/h3-6H,7H2,1-2H3,(H2,15,19)
InChIKeyZAIVIRZARKODDX-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.62
Rot. Bonds2

About methyl 2-carbamoyl-5-(2-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate

methyl 2-carbamoyl-5-(2-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate (PubChem CID 152615192) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is methyl 2-carbamoyl-5-(2-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-carbamoyl-5-(2-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate
PubChem CID152615192
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Namemethyl 2-carbamoyl-5-(2-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate
SMILESCOC(=O)C1(C)CN(C(N)=O)N=C1c1ccccc1Cl
InChIInChI=1S/C13H14ClN3O3/c1-13(11(18)20-2)7-17(12(15)19)16-10(13)8-5-3-4-6-9(8)14/h3-6H,7H2,1-2H3,(H2,15,19)
InChIKeyZAIVIRZARKODDX-UHFFFAOYSA-N
XLogP1.62
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-carbamoyl-5-(2-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate 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 2-carbamoyl-5-(2-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate?
The IUPAC name of methyl 2-carbamoyl-5-(2-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate (CID 152615192) is methyl 2-carbamoyl-5-(2-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate.
What is the SMILES notation for methyl 2-carbamoyl-5-(2-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate?
The canonical SMILES for methyl 2-carbamoyl-5-(2-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate is COC(=O)C1(C)CN(C(N)=O)N=C1c1ccccc1Cl.
What is the InChIKey of methyl 2-carbamoyl-5-(2-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate?
The InChIKey is ZAIVIRZARKODDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-13(11(18)20-2)7-17(12(15)19)16-10(13)8-5-3-4-6-9(8)14/h3-6H,7H2,1-2H3,(H2,15,19).
What are the key properties of methyl 2-carbamoyl-5-(2-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate?
methyl 2-carbamoyl-5-(2-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate has a molecular weight of 295.73 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-carbamoyl-5-(2-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate is sourced from PubChem (CID 152615192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).