ethyl 4-amino-1-(difluoromethyl)pyrazole-5-carboxylate

C7H9F2N3O2 — CID 171501572

IUPACethyl 4-amino-1-(difluoromethyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1c(N)cnn1C(F)F
InChIInChI=1S/C7H9F2N3O2/c1-2-14-6(13)5-4(10)3-11-12(5)7(8)9/h3,7H,2,10H2,1H3
InChIKeyMFMJSKJHOMWTHK-UHFFFAOYSA-N
MW205.16 g/mol
LogP1.04
Rot. Bonds3

About ethyl 4-amino-1-(difluoromethyl)pyrazole-5-carboxylate

ethyl 4-amino-1-(difluoromethyl)pyrazole-5-carboxylate (PubChem CID 171501572) has the molecular formula C7H9F2N3O2 and a molecular weight of 205.16 g/mol. Its IUPAC name is ethyl 4-amino-1-(difluoromethyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-(difluoromethyl)pyrazole-5-carboxylate
PubChem CID171501572
Molecular FormulaC7H9F2N3O2
Molecular Weight205.16 g/mol
Exact Mass205.07
IUPAC Nameethyl 4-amino-1-(difluoromethyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1c(N)cnn1C(F)F
InChIInChI=1S/C7H9F2N3O2/c1-2-14-6(13)5-4(10)3-11-12(5)7(8)9/h3,7H,2,10H2,1H3
InChIKeyMFMJSKJHOMWTHK-UHFFFAOYSA-N
XLogP1.04
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-amino-1-(difluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-(difluoromethyl)pyrazole-5-carboxylate?
The IUPAC name of ethyl 4-amino-1-(difluoromethyl)pyrazole-5-carboxylate (CID 171501572) is ethyl 4-amino-1-(difluoromethyl)pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-(difluoromethyl)pyrazole-5-carboxylate?
The canonical SMILES for ethyl 4-amino-1-(difluoromethyl)pyrazole-5-carboxylate is CCOC(=O)c1c(N)cnn1C(F)F.
What is the InChIKey of ethyl 4-amino-1-(difluoromethyl)pyrazole-5-carboxylate?
The InChIKey is MFMJSKJHOMWTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2/c1-2-14-6(13)5-4(10)3-11-12(5)7(8)9/h3,7H,2,10H2,1H3.
What are the key properties of ethyl 4-amino-1-(difluoromethyl)pyrazole-5-carboxylate?
ethyl 4-amino-1-(difluoromethyl)pyrazole-5-carboxylate has a molecular weight of 205.16 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-(difluoromethyl)pyrazole-5-carboxylate is sourced from PubChem (CID 171501572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).