methyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate

C13H14ClFN4O2 — CID 102809243

IUPACmethyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate
SMILESCCNc1nn(-c2c(F)cccc2Cl)c(N)c1C(=O)OC
InChIInChI=1S/C13H14ClFN4O2/c1-3-17-12-9(13(20)21-2)11(16)19(18-12)10-7(14)5-4-6-8(10)15/h4-6H,3,16H2,1-2H3,(H,17,18)
InChIKeyFJGBHZDPPYTANZ-UHFFFAOYSA-N
MW312.73 g/mol
LogP2.47
Rot. Bonds4

About methyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate

methyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate (PubChem CID 102809243) has the molecular formula C13H14ClFN4O2 and a molecular weight of 312.73 g/mol. Its IUPAC name is methyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate
PubChem CID102809243
Molecular FormulaC13H14ClFN4O2
Molecular Weight312.73 g/mol
Exact Mass312.08
IUPAC Namemethyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate
SMILESCCNc1nn(-c2c(F)cccc2Cl)c(N)c1C(=O)OC
InChIInChI=1S/C13H14ClFN4O2/c1-3-17-12-9(13(20)21-2)11(16)19(18-12)10-7(14)5-4-6-8(10)15/h4-6H,3,16H2,1-2H3,(H,17,18)
InChIKeyFJGBHZDPPYTANZ-UHFFFAOYSA-N
XLogP2.47
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.73
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)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

methyl 5-amino-3-(ethylamino)-1-(2-fluorophenyl)pyrazole-4-carboxylate
CID 102808285
methyl 5-amino-1-(4-chloro-3-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate
CID 102809172
methyl 5-amino-3-(ethylamino)-1-(3-fluorophenyl)pyrazole-4-carboxylate
CID 102808930
methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate
CID 102808113
methyl 5-amino-3-(ethylamino)-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 102809042
methyl 5-amino-1-(2-chloro-6-fluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103546244
methyl 5-amino-1-(4-chloro-3-fluorophenyl)-3-(methylamino)pyrazole-4-carboxylate
CID 102809174
methyl 3-amino-1-(2-chloro-6-fluorophenyl)-4-cyanopyrrole-2-carboxylate
CID 168545638
methyl 1-(2-bromo-6-fluorophenyl)-4-chloro-6-oxopyridazine-3-carboxylate
CID 171781971
methyl 5-amino-3-(methylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylate
CID 102809021
methyl 2-amino-6-[(2-chloro-6-fluorophenoxy)methyl]benzoate
CID 104825565
methyl 5-amino-3-(cyclobutylamino)-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 102808565

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate (CID 102809243) is methyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate is CCNc1nn(-c2c(F)cccc2Cl)c(N)c1C(=O)OC.
What is the InChIKey of methyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate?
The InChIKey is FJGBHZDPPYTANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O2/c1-3-17-12-9(13(20)21-2)11(16)19(18-12)10-7(14)5-4-6-8(10)15/h4-6H,3,16H2,1-2H3,(H,17,18).
What are the key properties of methyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate?
methyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate has a molecular weight of 312.73 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate is sourced from PubChem (CID 102809243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).