4-(furan-2-yl)-3-methylsulfanyl-5-phenyl-1H-pyrazole

C14H12N2OS — CID 141270040

IUPAC4-(furan-2-yl)-3-methylsulfanyl-5-phenyl-1H-pyrazole
SMILESCSc1n[nH]c(-c2ccccc2)c1-c1ccco1
InChIInChI=1S/C14H12N2OS/c1-18-14-12(11-8-5-9-17-11)13(15-16-14)10-6-3-2-4-7-10/h2-9H,1H3,(H,15,16)
InChIKeyHYSVWSYGJKSSPM-UHFFFAOYSA-N
MW256.33 g/mol
LogP4.06
Rot. Bonds3

About 4-(furan-2-yl)-3-methylsulfanyl-5-phenyl-1H-pyrazole

4-(furan-2-yl)-3-methylsulfanyl-5-phenyl-1H-pyrazole (PubChem CID 141270040) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-methylsulfanyl-5-phenyl-1H-pyrazole.

Molecular Properties

Compound Name4-(furan-2-yl)-3-methylsulfanyl-5-phenyl-1H-pyrazole
PubChem CID141270040
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name4-(furan-2-yl)-3-methylsulfanyl-5-phenyl-1H-pyrazole
SMILESCSc1n[nH]c(-c2ccccc2)c1-c1ccco1
InChIInChI=1S/C14H12N2OS/c1-18-14-12(11-8-5-9-17-11)13(15-16-14)10-6-3-2-4-7-10/h2-9H,1H3,(H,15,16)
InChIKeyHYSVWSYGJKSSPM-UHFFFAOYSA-N
XLogP4.06
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-methylsulfanyl-5-phenyl-1H-pyrazole?
The IUPAC name of 4-(furan-2-yl)-3-methylsulfanyl-5-phenyl-1H-pyrazole (CID 141270040) is 4-(furan-2-yl)-3-methylsulfanyl-5-phenyl-1H-pyrazole.
What is the SMILES notation for 4-(furan-2-yl)-3-methylsulfanyl-5-phenyl-1H-pyrazole?
The canonical SMILES for 4-(furan-2-yl)-3-methylsulfanyl-5-phenyl-1H-pyrazole is CSc1n[nH]c(-c2ccccc2)c1-c1ccco1.
What is the InChIKey of 4-(furan-2-yl)-3-methylsulfanyl-5-phenyl-1H-pyrazole?
The InChIKey is HYSVWSYGJKSSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-18-14-12(11-8-5-9-17-11)13(15-16-14)10-6-3-2-4-7-10/h2-9H,1H3,(H,15,16).
What are the key properties of 4-(furan-2-yl)-3-methylsulfanyl-5-phenyl-1H-pyrazole?
4-(furan-2-yl)-3-methylsulfanyl-5-phenyl-1H-pyrazole has a molecular weight of 256.33 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3-methylsulfanyl-5-phenyl-1H-pyrazole is sourced from PubChem (CID 141270040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).