1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine

C15H14ClN3O — CID 83217034

IUPAC1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine
SMILESCc1cc(-c2nn(-c3ccc(Cl)cc3)cc2N)c(C)o1
InChIInChI=1S/C15H14ClN3O/c1-9-7-13(10(2)20-9)15-14(17)8-19(18-15)12-5-3-11(16)4-6-12/h3-8H,17H2,1-2H3
InChIKeyHASYQPLGTQDTTL-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.98
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine

1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine (PubChem CID 83217034) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine
PubChem CID83217034
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine
SMILESCc1cc(-c2nn(-c3ccc(Cl)cc3)cc2N)c(C)o1
InChIInChI=1S/C15H14ClN3O/c1-9-7-13(10(2)20-9)15-14(17)8-19(18-15)12-5-3-11(16)4-6-12/h3-8H,17H2,1-2H3
InChIKeyHASYQPLGTQDTTL-UHFFFAOYSA-N
XLogP3.98
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine (CID 83217034) is 1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine is Cc1cc(-c2nn(-c3ccc(Cl)cc3)cc2N)c(C)o1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine?
The InChIKey is HASYQPLGTQDTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-9-7-13(10(2)20-9)15-14(17)8-19(18-15)12-5-3-11(16)4-6-12/h3-8H,17H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine?
1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine has a molecular weight of 287.75 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazol-4-amine is sourced from PubChem (CID 83217034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).