4-(3-chloro-2-fluorophenyl)-5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-amine

C15H13ClFN3O — CID 82787774

IUPAC4-(3-chloro-2-fluorophenyl)-5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-amine
SMILESNc1n[nH]c(CCc2ccco2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C15H13ClFN3O/c16-11-5-1-4-10(14(11)17)13-12(19-20-15(13)18)7-6-9-3-2-8-21-9/h1-5,8H,6-7H2,(H3,18,19,20)
InChIKeyJSIHTEDQFXYXDM-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.83
Rot. Bonds4

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

4-(3-chloro-2-fluorophenyl)-5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-amine (PubChem CID 82787774) 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-(furan-2-yl)ethyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-amine
PubChem CID82787774
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC Name4-(3-chloro-2-fluorophenyl)-5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-amine
SMILESNc1n[nH]c(CCc2ccco2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C15H13ClFN3O/c16-11-5-1-4-10(14(11)17)13-12(19-20-15(13)18)7-6-9-3-2-8-21-9/h1-5,8H,6-7H2,(H3,18,19,20)
InChIKeyJSIHTEDQFXYXDM-UHFFFAOYSA-N
XLogP3.83
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.83
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-(furan-2-yl)ethyl]-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-amine (CID 82787774) is 4-(3-chloro-2-fluorophenyl)-5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-amine is Nc1n[nH]c(CCc2ccco2)c1-c1cccc(Cl)c1F.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-amine?
The InChIKey is JSIHTEDQFXYXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O/c16-11-5-1-4-10(14(11)17)13-12(19-20-15(13)18)7-6-9-3-2-8-21-9/h1-5,8H,6-7H2,(H3,18,19,20).
What are the key properties of 4-(3-chloro-2-fluorophenyl)-5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-amine?
4-(3-chloro-2-fluorophenyl)-5-[2-(furan-2-yl)ethyl]-1H-pyrazol-3-amine has a molecular weight of 305.74 g/mol, XLogP of 3.83, 4 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-(furan-2-yl)ethyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 82787774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).