ethyl 5-amino-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate

C12H11Cl2N3O2 — CID 75357931

IUPACethyl 5-amino-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(N)n(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H11Cl2N3O2/c1-2-19-12(18)9-6-11(15)17(16-9)10-4-3-7(13)5-8(10)14/h3-6H,2,15H2,1H3
InChIKeyMSSHVKJAEYNIDS-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.94
Rot. Bonds3

About ethyl 5-amino-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate

ethyl 5-amino-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate (PubChem CID 75357931) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.15 g/mol. Its IUPAC name is ethyl 5-amino-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate
PubChem CID75357931
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Nameethyl 5-amino-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(N)n(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H11Cl2N3O2/c1-2-19-12(18)9-6-11(15)17(16-9)10-4-3-7(13)5-8(10)14/h3-6H,2,15H2,1H3
InChIKeyMSSHVKJAEYNIDS-UHFFFAOYSA-N
XLogP2.94
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-amino-1-(2,4-dichlorophenyl)pyrazole-3-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

2-Ethoxyethyl 5-amino-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate
CID 44573937
Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate
CID 23630921
Ethyl 5-amino-1-(2,4-difluorophenyl)-1H-pyrazole-3-carboxylate
CID 14994513
ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate
CID 821822
Ethyl 5-amino-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylate
CID 14994515
Ethyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-3-carboxylate
CID 20321875
ethyl 5-amino-4-methyl-1-phenyl-1H-pyrazole-3-carboxylate
CID 68887576
Ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate
CID 14994510
Ethyl 5-amino-4-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 22618439
Ethyl 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 22618477
Ethyl 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethynylpyrazole-3-carboxylate
CID 23227969
Ethyl 5-amino-1-(2-fluorophenyl)-1H-pyrazole-3-carboxylate
CID 53302142

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate (CID 75357931) is ethyl 5-amino-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(N)n(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of ethyl 5-amino-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate?
The InChIKey is MSSHVKJAEYNIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c1-2-19-12(18)9-6-11(15)17(16-9)10-4-3-7(13)5-8(10)14/h3-6H,2,15H2,1H3.
What are the key properties of ethyl 5-amino-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate?
ethyl 5-amino-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate has a molecular weight of 300.15 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 75357931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).