4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-3-amine

C17H16N6O — CID 10591784

IUPAC4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-3-amine
SMILESNc1nn(CCc2ccccc2)cc1-c1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C17H16N6O/c18-15-13(16-19-17(21-20-16)14-7-4-10-24-14)11-23(22-15)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,18,22)(H,19,20,21)
InChIKeyKDXBFLFKAFQDDG-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.75
Rot. Bonds5

About 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-3-amine

4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-3-amine (PubChem CID 10591784) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-3-amine
PubChem CID10591784
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-3-amine
SMILESNc1nn(CCc2ccccc2)cc1-c1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C17H16N6O/c18-15-13(16-19-17(21-20-16)14-7-4-10-24-14)11-23(22-15)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,18,22)(H,19,20,21)
InChIKeyKDXBFLFKAFQDDG-UHFFFAOYSA-N
XLogP2.75
TPSA98.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-3-amine?
The IUPAC name of 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-3-amine (CID 10591784) is 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-3-amine.
What is the SMILES notation for 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-3-amine?
The canonical SMILES for 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-3-amine is Nc1nn(CCc2ccccc2)cc1-c1n[nH]c(-c2ccco2)n1.
What is the InChIKey of 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-3-amine?
The InChIKey is KDXBFLFKAFQDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c18-15-13(16-19-17(21-20-16)14-7-4-10-24-14)11-23(22-15)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,18,22)(H,19,20,21).
What are the key properties of 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-3-amine?
4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-3-amine has a molecular weight of 320.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-3-amine is sourced from PubChem (CID 10591784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).