4-(2-chloro-6-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine

C13H9ClFN3O — CID 43157448

IUPAC4-(2-chloro-6-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccoc2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C13H9ClFN3O/c14-8-2-1-3-9(15)10(8)11-12(17-18-13(11)16)7-4-5-19-6-7/h1-6H,(H3,16,17,18)
InChIKeyJLAVMDBLHCIEKX-UHFFFAOYSA-N
MW277.69 g/mol
LogP3.71
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine

4-(2-chloro-6-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine (PubChem CID 43157448) has the molecular formula C13H9ClFN3O and a molecular weight of 277.69 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine
PubChem CID43157448
Molecular FormulaC13H9ClFN3O
Molecular Weight277.69 g/mol
Exact Mass277.04
IUPAC Name4-(2-chloro-6-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccoc2)c1-c1c(F)cccc1Cl
InChIInChI=1S/C13H9ClFN3O/c14-8-2-1-3-9(15)10(8)11-12(17-18-13(11)16)7-4-5-19-6-7/h1-6H,(H3,16,17,18)
InChIKeyJLAVMDBLHCIEKX-UHFFFAOYSA-N
XLogP3.71
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.69
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine (CID 43157448) is 4-(2-chloro-6-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccoc2)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine?
The InChIKey is JLAVMDBLHCIEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O/c14-8-2-1-3-9(15)10(8)11-12(17-18-13(11)16)7-4-5-19-6-7/h1-6H,(H3,16,17,18).
What are the key properties of 4-(2-chloro-6-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine?
4-(2-chloro-6-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine has a molecular weight of 277.69 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 43157448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).