2-fluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate

C8H12FN3O2 — CID 80693694

IUPAC2-fluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
SMILESCc1nn(C)c(C(=O)OCCF)c1N
InChIInChI=1S/C8H12FN3O2/c1-5-6(10)7(12(2)11-5)8(13)14-4-3-9/h3-4,10H2,1-2H3
InChIKeyGGXOLHABQJNUHP-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.44
Rot. Bonds3

About 2-fluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate

2-fluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate (PubChem CID 80693694) has the molecular formula C8H12FN3O2 and a molecular weight of 201.20 g/mol. Its IUPAC name is 2-fluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
PubChem CID80693694
Molecular FormulaC8H12FN3O2
Molecular Weight201.20 g/mol
Exact Mass201.09
IUPAC Name2-fluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
SMILESCc1nn(C)c(C(=O)OCCF)c1N
InChIInChI=1S/C8H12FN3O2/c1-5-6(10)7(12(2)11-5)8(13)14-4-3-9/h3-4,10H2,1-2H3
InChIKeyGGXOLHABQJNUHP-UHFFFAOYSA-N
XLogP0.44
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoroethyl 4-amino-1,3-dimethylpyrazole-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 4-formyl-1,3-dimethyl-1H-pyrazole-5-carboxylate
CID 22356652
ethyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate
CID 7022226
methyl 4-amino-1-ethyl-3-methyl-1H-pyrazole-5-carboxylate
CID 15836223
methyl 4-amino-1,3-dimethyl-1H-pyrazole-5-carboxylate
CID 20715109
ethyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-5-carboxylate
CID 71668974
methyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate
CID 2743727
3-(4-amino-1,3-dimethyl-1H-pyrazole-5-carbonyloxy)propanoic acid hydrochloride
CID 165942127
Ethyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate
CID 9855653
Ethyl 1-methyl-3-(trifluoromethyl)-1h-pyrazole-5-carboxylate
CID 14049150
2,5-dimethyl-4-trifluoromethyl-2H-pyrazole-3-carboxylic acid ethyl ester
CID 57574500
Ethyl 1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carboxylate
CID 57574539
Methyl 4-amino-5-carbamoyl-1-[2-(3-fluoropropoxy)ethyl]pyrazole-3-carboxylate
CID 57799201

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The IUPAC name of 2-fluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate (CID 80693694) is 2-fluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate.
What is the SMILES notation for 2-fluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The canonical SMILES for 2-fluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate is Cc1nn(C)c(C(=O)OCCF)c1N.
What is the InChIKey of 2-fluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The InChIKey is GGXOLHABQJNUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2/c1-5-6(10)7(12(2)11-5)8(13)14-4-3-9/h3-4,10H2,1-2H3.
What are the key properties of 2-fluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate?
2-fluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate has a molecular weight of 201.20 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate is sourced from PubChem (CID 80693694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).