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

C15H14FN5O2 — CID 69077521

IUPACpyrazol-1-yl 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
SMILESCCc1nn(-c2ccc(F)cc2)c(N)c1C(=O)On1cccn1
InChIInChI=1S/C15H14FN5O2/c1-2-12-13(15(22)23-20-9-3-8-18-20)14(17)21(19-12)11-6-4-10(16)5-7-11/h3-9H,2,17H2,1H3
InChIKeyXRNGKMNOCMXFSX-UHFFFAOYSA-N
MW315.31 g/mol
LogP1.62
Rot. Bonds4

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

pyrazol-1-yl 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylate (PubChem CID 69077521) has the molecular formula C15H14FN5O2 and a molecular weight of 315.31 g/mol. Its IUPAC name is pyrazol-1-yl 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namepyrazol-1-yl 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
PubChem CID69077521
Molecular FormulaC15H14FN5O2
Molecular Weight315.31 g/mol
Exact Mass315.11
IUPAC Namepyrazol-1-yl 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
SMILESCCc1nn(-c2ccc(F)cc2)c(N)c1C(=O)On1cccn1
InChIInChI=1S/C15H14FN5O2/c1-2-12-13(15(22)23-20-9-3-8-18-20)14(17)21(19-12)11-6-4-10(16)5-7-11/h3-9H,2,17H2,1H3
InChIKeyXRNGKMNOCMXFSX-UHFFFAOYSA-N
XLogP1.62
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of pyrazol-1-yl 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylate?
The IUPAC name of pyrazol-1-yl 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylate (CID 69077521) is pyrazol-1-yl 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylate.
What is the SMILES notation for pyrazol-1-yl 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylate?
The canonical SMILES for pyrazol-1-yl 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylate is CCc1nn(-c2ccc(F)cc2)c(N)c1C(=O)On1cccn1.
What is the InChIKey of pyrazol-1-yl 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylate?
The InChIKey is XRNGKMNOCMXFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2/c1-2-12-13(15(22)23-20-9-3-8-18-20)14(17)21(19-12)11-6-4-10(16)5-7-11/h3-9H,2,17H2,1H3.
What are the key properties of pyrazol-1-yl 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylate?
pyrazol-1-yl 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylate has a molecular weight of 315.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazol-1-yl 5-amino-3-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 69077521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).