3-(2,5-dimethylfuran-3-yl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine

C16H16FN3O — CID 83203755

IUPAC3-(2,5-dimethylfuran-3-yl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine
SMILESCc1cc(-c2nn(Cc3ccc(F)cc3)cc2N)c(C)o1
InChIInChI=1S/C16H16FN3O/c1-10-7-14(11(2)21-10)16-15(18)9-20(19-16)8-12-3-5-13(17)6-4-12/h3-7,9H,8,18H2,1-2H3
InChIKeyKRJKKNLDLLFKFO-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.53
Rot. Bonds3

About 3-(2,5-dimethylfuran-3-yl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine

3-(2,5-dimethylfuran-3-yl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine (PubChem CID 83203755) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-(2,5-dimethylfuran-3-yl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-(2,5-dimethylfuran-3-yl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine
PubChem CID83203755
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name3-(2,5-dimethylfuran-3-yl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine
SMILESCc1cc(-c2nn(Cc3ccc(F)cc3)cc2N)c(C)o1
InChIInChI=1S/C16H16FN3O/c1-10-7-14(11(2)21-10)16-15(18)9-20(19-16)8-12-3-5-13(17)6-4-12/h3-7,9H,8,18H2,1-2H3
InChIKeyKRJKKNLDLLFKFO-UHFFFAOYSA-N
XLogP3.53
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylfuran-3-yl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine?
The IUPAC name of 3-(2,5-dimethylfuran-3-yl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine (CID 83203755) is 3-(2,5-dimethylfuran-3-yl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3-(2,5-dimethylfuran-3-yl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 3-(2,5-dimethylfuran-3-yl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine is Cc1cc(-c2nn(Cc3ccc(F)cc3)cc2N)c(C)o1.
What is the InChIKey of 3-(2,5-dimethylfuran-3-yl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine?
The InChIKey is KRJKKNLDLLFKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-10-7-14(11(2)21-10)16-15(18)9-20(19-16)8-12-3-5-13(17)6-4-12/h3-7,9H,8,18H2,1-2H3.
What are the key properties of 3-(2,5-dimethylfuran-3-yl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine?
3-(2,5-dimethylfuran-3-yl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine has a molecular weight of 285.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylfuran-3-yl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 83203755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).