methyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate

C11H10FN3O2 — CID 171985154

IUPACmethyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]nc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C11H10FN3O2/c1-17-11(16)10-8(13)9(14-15-10)6-2-4-7(12)5-3-6/h2-5H,13H2,1H3,(H,14,15)
InChIKeyWCGPFFUDIJNCCC-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.58
Rot. Bonds2

About methyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate

methyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate (PubChem CID 171985154) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is methyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
PubChem CID171985154
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Namemethyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]nc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C11H10FN3O2/c1-17-11(16)10-8(13)9(14-15-10)6-2-4-7(12)5-3-6/h2-5H,13H2,1H3,(H,14,15)
InChIKeyWCGPFFUDIJNCCC-UHFFFAOYSA-N
XLogP1.58
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate (CID 171985154) is methyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate is COC(=O)c1[nH]nc(-c2ccc(F)cc2)c1N.
What is the InChIKey of methyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate?
The InChIKey is WCGPFFUDIJNCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-17-11(16)10-8(13)9(14-15-10)6-2-4-7(12)5-3-6/h2-5H,13H2,1H3,(H,14,15).
What are the key properties of methyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate?
methyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate has a molecular weight of 235.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 171985154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).