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

C12H11F2N3O2 — CID 83808189

IUPACethyl 5-amino-1-(3,5-difluorophenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(F)cc(F)c2)c1N
InChIInChI=1S/C12H11F2N3O2/c1-2-19-12(18)10-6-16-17(11(10)15)9-4-7(13)3-8(14)5-9/h3-6H,2,15H2,1H3
InChIKeyDBUPNKAKTQONOB-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.91
Rot. Bonds3

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

ethyl 5-amino-1-(3,5-difluorophenyl)pyrazole-4-carboxylate (PubChem CID 83808189) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.24 g/mol. Its IUPAC name is ethyl 5-amino-1-(3,5-difluorophenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(3,5-difluorophenyl)pyrazole-4-carboxylate
PubChem CID83808189
Molecular FormulaC12H11F2N3O2
Molecular Weight267.24 g/mol
Exact Mass267.08
IUPAC Nameethyl 5-amino-1-(3,5-difluorophenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(F)cc(F)c2)c1N
InChIInChI=1S/C12H11F2N3O2/c1-2-19-12(18)10-6-16-17(11(10)15)9-4-7(13)3-8(14)5-9/h3-6H,2,15H2,1H3
InChIKeyDBUPNKAKTQONOB-UHFFFAOYSA-N
XLogP1.91
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-amino-1-(3,5-difluorophenyl)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

Related Compounds

ethyl 5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxylate
CID 79150341
ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate
CID 82365389
ethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate
CID 82365413
ethyl 5-amino-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carboxylate
CID 692270
ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate
CID 67053258
ethyl 5-amino-1-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazole-4-carboxylate
CID 14517405
ethyl 5-amino-1-[4-[chloro(difluoro)methoxy]phenyl]pyrazole-4-carboxylate
CID 625309
ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate
CID 82192656
ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 22228090
ethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363328
ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363367
ethyl 5-amino-1-[4-(2-hydroxy-4-methylphenoxy)phenyl]pyrazole-4-carboxylate
CID 11624526

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(3,5-difluorophenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(3,5-difluorophenyl)pyrazole-4-carboxylate (CID 83808189) is ethyl 5-amino-1-(3,5-difluorophenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(3,5-difluorophenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(3,5-difluorophenyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc(F)cc(F)c2)c1N.
What is the InChIKey of ethyl 5-amino-1-(3,5-difluorophenyl)pyrazole-4-carboxylate?
The InChIKey is DBUPNKAKTQONOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2/c1-2-19-12(18)10-6-16-17(11(10)15)9-4-7(13)3-8(14)5-9/h3-6H,2,15H2,1H3.
What are the key properties of ethyl 5-amino-1-(3,5-difluorophenyl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(3,5-difluorophenyl)pyrazole-4-carboxylate has a molecular weight of 267.24 g/mol, XLogP of 1.91, 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-(3,5-difluorophenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 83808189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).