ethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxylate

C14H16FN3O2 — CID 121305827

IUPACethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCc2ccc(F)cc2)c1N
InChIInChI=1S/C14H16FN3O2/c1-2-20-14(19)12-9-17-18(13(12)16)8-7-10-3-5-11(15)6-4-10/h3-6,9H,2,7-8,16H2,1H3
InChIKeyXTLWHYABTLTSEB-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.02
Rot. Bonds5

About ethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxylate

ethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxylate (PubChem CID 121305827) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is ethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxylate
PubChem CID121305827
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Nameethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCc2ccc(F)cc2)c1N
InChIInChI=1S/C14H16FN3O2/c1-2-20-14(19)12-9-17-18(13(12)16)8-7-10-3-5-11(15)6-4-10/h3-6,9H,2,7-8,16H2,1H3
InChIKeyXTLWHYABTLTSEB-UHFFFAOYSA-N
XLogP2.02
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]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-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 778101
ethane;ethyl 5-amino-1-[(4-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 144730846
ethyl 5-amino-1-(4-fluorobenzoyl)pyrazole-4-carboxylate
CID 110472549
ethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate
CID 67020934
ethyl 5-amino-1-benzylpyrazole-4-carboxylate
CID 785810
ethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 43145818
ethyl 5-amino-1-(3,5-difluorophenyl)pyrazole-4-carboxylate
CID 83808189
ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazole-4-carboxylate
CID 130300143
ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 22228090
ethyl 1-[(4-fluorophenyl)methyl]tetrazole-5-carboxylate
CID 79318481
ethyl 5-amino-1-(3-fluorobenzoyl)pyrazole-4-carboxylate
CID 110472492
ethyl 5-amino-1-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrazole-4-carboxylate
CID 23655881

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxylate (CID 121305827) is ethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(CCc2ccc(F)cc2)c1N.
What is the InChIKey of ethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxylate?
The InChIKey is XTLWHYABTLTSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-2-20-14(19)12-9-17-18(13(12)16)8-7-10-3-5-11(15)6-4-10/h3-6,9H,2,7-8,16H2,1H3.
What are the key properties of ethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxylate?
ethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxylate has a molecular weight of 277.30 g/mol, XLogP of 2.02, 5 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-fluorophenyl)ethyl]pyrazole-4-carboxylate is sourced from PubChem (CID 121305827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).