1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylate

C14H8FN2O3- — CID 6946088

IUPAC1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylate
SMILESO=C([O-])c1cc(-c2ccco2)nn1-c1ccc(F)cc1
InChIInChI=1S/C14H9FN2O3/c15-9-3-5-10(6-4-9)17-12(14(18)19)8-11(16-17)13-2-1-7-20-13/h1-8H,(H,18,19)/p-1
InChIKeyUVYYJFKYRZOUPJ-UHFFFAOYSA-M
MW271.23 g/mol
LogP1.63
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylate

1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylate (PubChem CID 6946088) has the molecular formula C14H8FN2O3- and a molecular weight of 271.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylate.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylate
PubChem CID6946088
Molecular FormulaC14H8FN2O3-
Molecular Weight271.23 g/mol
Exact Mass271.05
IUPAC Name1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylate
SMILESO=C([O-])c1cc(-c2ccco2)nn1-c1ccc(F)cc1
InChIInChI=1S/C14H9FN2O3/c15-9-3-5-10(6-4-9)17-12(14(18)19)8-11(16-17)13-2-1-7-20-13/h1-8H,(H,18,19)/p-1
InChIKeyUVYYJFKYRZOUPJ-UHFFFAOYSA-M
XLogP1.63
TPSA71.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
CID 42762262
N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 42762263
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 1053454
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-fluorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone
CID 1053447
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 42762271
1-(3,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid
CID 82370881
1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide
CID 2382321
1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide
CID 1053398
3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
CID 82370914
1,4-diazepan-1-yl-[3-(furan-2-yl)-1-phenylpyrazol-5-yl]methanone;hydrochloride
CID 119414159
N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053385
N-[(2R)-2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 95782218

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylate?
The IUPAC name of 1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylate (CID 6946088) is 1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylate.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylate?
The canonical SMILES for 1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylate is O=C([O-])c1cc(-c2ccco2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylate?
The InChIKey is UVYYJFKYRZOUPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H9FN2O3/c15-9-3-5-10(6-4-9)17-12(14(18)19)8-11(16-17)13-2-1-7-20-13/h1-8H,(H,18,19)/p-1.
What are the key properties of 1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylate?
1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylate has a molecular weight of 271.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylate is sourced from PubChem (CID 6946088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).