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

C15H13ClFN3O — CID 82787777

IUPAC4-(3-chloro-2-fluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2cccc(Cl)c2F)c(C)o1
InChIInChI=1S/C15H13ClFN3O/c1-7-6-10(8(2)21-7)14-12(15(18)20-19-14)9-4-3-5-11(16)13(9)17/h3-6H,1-2H3,(H3,18,19,20)
InChIKeyIOUFIJUAWFWCBY-UHFFFAOYSA-N
MW305.74 g/mol
LogP4.33
Rot. Bonds2

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

4-(3-chloro-2-fluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine (PubChem CID 82787777) has the molecular formula C15H13ClFN3O and a molecular weight of 305.74 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine
PubChem CID82787777
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC Name4-(3-chloro-2-fluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2cccc(Cl)c2F)c(C)o1
InChIInChI=1S/C15H13ClFN3O/c1-7-6-10(8(2)21-7)14-12(15(18)20-19-14)9-4-3-5-11(16)13(9)17/h3-6H,1-2H3,(H3,18,19,20)
InChIKeyIOUFIJUAWFWCBY-UHFFFAOYSA-N
XLogP4.33
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine (CID 82787777) is 4-(3-chloro-2-fluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine is Cc1cc(-c2[nH]nc(N)c2-c2cccc(Cl)c2F)c(C)o1.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine?
The InChIKey is IOUFIJUAWFWCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O/c1-7-6-10(8(2)21-7)14-12(15(18)20-19-14)9-4-3-5-11(16)13(9)17/h3-6H,1-2H3,(H3,18,19,20).
What are the key properties of 4-(3-chloro-2-fluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine?
4-(3-chloro-2-fluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine has a molecular weight of 305.74 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 82787777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).