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

C15H13F2N3O — CID 61496667

IUPAC4-(3,5-difluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2cc(F)cc(F)c2)c(C)o1
InChIInChI=1S/C15H13F2N3O/c1-7-3-12(8(2)21-7)14-13(15(18)20-19-14)9-4-10(16)6-11(17)5-9/h3-6H,1-2H3,(H3,18,19,20)
InChIKeyABLUBDXKGRQPNM-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.81
Rot. Bonds2

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

4-(3,5-difluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine (PubChem CID 61496667) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine
PubChem CID61496667
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name4-(3,5-difluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2cc(F)cc(F)c2)c(C)o1
InChIInChI=1S/C15H13F2N3O/c1-7-3-12(8(2)21-7)14-13(15(18)20-19-14)9-4-10(16)6-11(17)5-9/h3-6H,1-2H3,(H3,18,19,20)
InChIKeyABLUBDXKGRQPNM-UHFFFAOYSA-N
XLogP3.81
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3,5-difluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine (CID 61496667) is 4-(3,5-difluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3,5-difluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3,5-difluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine is Cc1cc(-c2[nH]nc(N)c2-c2cc(F)cc(F)c2)c(C)o1.
What is the InChIKey of 4-(3,5-difluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine?
The InChIKey is ABLUBDXKGRQPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c1-7-3-12(8(2)21-7)14-13(15(18)20-19-14)9-4-10(16)6-11(17)5-9/h3-6H,1-2H3,(H3,18,19,20).
What are the key properties of 4-(3,5-difluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine?
4-(3,5-difluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine has a molecular weight of 289.29 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 61496667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).