ethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate

C17H20FN3O2 — CID 22309747

IUPACethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C2CCCC2)nn(-c2ccc(F)cc2)c1N
InChIInChI=1S/C17H20FN3O2/c1-2-23-17(22)14-15(11-5-3-4-6-11)20-21(16(14)19)13-9-7-12(18)8-10-13/h7-11H,2-6,19H2,1H3
InChIKeyPDFHYOBHMGYNET-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.43
Rot. Bonds4

About ethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate

ethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate (PubChem CID 22309747) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is ethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
PubChem CID22309747
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Nameethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C2CCCC2)nn(-c2ccc(F)cc2)c1N
InChIInChI=1S/C17H20FN3O2/c1-2-23-17(22)14-15(11-5-3-4-6-11)20-21(16(14)19)13-9-7-12(18)8-10-13/h7-11H,2-6,19H2,1H3
InChIKeyPDFHYOBHMGYNET-UHFFFAOYSA-N
XLogP3.43
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-1-(3-chloro-4-fluorophenyl)-3-cyclobutylpyrazole-4-carboxylate
CID 22309711
ethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate
CID 22309705
ethyl 5-amino-3-cyclopentyl-1-methylpyrazole-4-carboxylate
CID 22309729
3-cyclopropyl-1-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid
CID 42819806
ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 63234939
ethyl 3-(4-fluorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate
CID 67029412
benzyl 3-cyclohexyl-5-methyl-1-phenylpyrazole-4-carboxylate
CID 134951291
ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate
CID 135372866
ethyl 5-fluoro-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 53429376
diethyl 4-(2-chloro-4-fluorophenyl)-2,6-di(cyclobutyl)pyridine-3,5-dicarboxylate
CID 176565653
diethyl 5-(cyclohexylamino)-1-(4-methylphenyl)pyrazole-3,4-dicarboxylate
CID 135065265
ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
CID 146167576

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate (CID 22309747) is ethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate is CCOC(=O)c1c(C2CCCC2)nn(-c2ccc(F)cc2)c1N.
What is the InChIKey of ethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate?
The InChIKey is PDFHYOBHMGYNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-2-23-17(22)14-15(11-5-3-4-6-11)20-21(16(14)19)13-9-7-12(18)8-10-13/h7-11H,2-6,19H2,1H3.
What are the key properties of ethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate?
ethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate has a molecular weight of 317.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 22309747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).