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

C17H16N6O — CID 22348344

IUPAC4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-5-amine
SMILESNc1c(-c2n[nH]c(-c3ccco3)n2)cnn1CCc1ccccc1
InChIInChI=1S/C17H16N6O/c18-15-13(16-20-17(22-21-16)14-7-4-10-24-14)11-19-23(15)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9,18H2,(H,20,21,22)
InChIKeyNFUFUJRZGLKODM-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-5-amine

4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-5-amine (PubChem CID 22348344) 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-5-amine.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-5-amine
PubChem CID22348344
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-5-amine
SMILESNc1c(-c2n[nH]c(-c3ccco3)n2)cnn1CCc1ccccc1
InChIInChI=1S/C17H16N6O/c18-15-13(16-20-17(22-21-16)14-7-4-10-24-14)11-19-23(15)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9,18H2,(H,20,21,22)
InChIKeyNFUFUJRZGLKODM-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

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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-5-amine?
The IUPAC name of 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-5-amine (CID 22348344) is 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-5-amine.
What is the SMILES notation for 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-5-amine?
The canonical SMILES for 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-5-amine is Nc1c(-c2n[nH]c(-c3ccco3)n2)cnn1CCc1ccccc1.
What is the InChIKey of 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-5-amine?
The InChIKey is NFUFUJRZGLKODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c18-15-13(16-20-17(22-21-16)14-7-4-10-24-14)11-19-23(15)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9,18H2,(H,20,21,22).
What are the key properties of 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-5-amine?
4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(2-phenylethyl)pyrazol-5-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-5-amine is sourced from PubChem (CID 22348344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).