ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate

C12H12ClN3O2 — CID 177207575

IUPACethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(N)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O2/c1-2-18-12(17)10-7-11(14)15-16(10)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H2,14,15)
InChIKeyGWHVMVYVRNQLLO-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.28
Rot. Bonds3

About ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate

ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate (PubChem CID 177207575) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate
PubChem CID177207575
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Nameethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(N)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O2/c1-2-18-12(17)10-7-11(14)15-16(10)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H2,14,15)
InChIKeyGWHVMVYVRNQLLO-UHFFFAOYSA-N
XLogP2.28
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-amino-1-(4-chlorophenyl)pyrazole-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

ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
CID 139926661
ethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
CID 58591624
ethyl 1-(4-chlorophenyl)pyrrole-2-carboxylate
CID 170871926
diethyl 1-(4-chlorophenyl)triazole-4,5-dicarboxylate
CID 7184900
ethyl 1-(4-chlorophenyl)-5-methoxy-4-methylpyrazole-3-carboxylate
CID 142640195
ethyl 4-acetyl-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carboxylate
CID 162535284
ethyl 2-(4-chlorophenyl)-5-methyltriazole-4-carboxylate
CID 50849373
5-(2-aminoethyl)-1-(4-chlorophenyl)pyrazol-3-amine
CID 83868883
ethyl 4-(4-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate
CID 2761332
ethyl 1-(4-methoxyphenyl)-3-methylsulfonylpyrazole-5-carboxylate
CID 22318530
ethyl 1-(4-chlorophenyl)-6-methyl-5-oxo-[1,2,4]triazolo[3,4-c][1,2,4]triazine-3-carboxylate
CID 1234426
ethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 82587186

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate (CID 177207575) is ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate is CCOC(=O)c1cc(N)nn1-c1ccc(Cl)cc1.
What is the InChIKey of ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate?
The InChIKey is GWHVMVYVRNQLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-2-18-12(17)10-7-11(14)15-16(10)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H2,14,15).
What are the key properties of ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate?
ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate has a molecular weight of 265.70 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-1-(4-chlorophenyl)pyrazole-5-carboxylate is sourced from PubChem (CID 177207575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).