5-[(1-phenylpyrazol-3-yl)methylsulfanyl]pyridin-2-amine

C15H14N4S — CID 62886029

IUPAC5-[(1-phenylpyrazol-3-yl)methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2ccn(-c3ccccc3)n2)cn1
InChIInChI=1S/C15H14N4S/c16-15-7-6-14(10-17-15)20-11-12-8-9-19(18-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,16,17)
InChIKeyZBDHLZAYYSJSBA-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.14
Rot. Bonds4

About 5-[(1-phenylpyrazol-3-yl)methylsulfanyl]pyridin-2-amine

5-[(1-phenylpyrazol-3-yl)methylsulfanyl]pyridin-2-amine (PubChem CID 62886029) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-[(1-phenylpyrazol-3-yl)methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(1-phenylpyrazol-3-yl)methylsulfanyl]pyridin-2-amine
PubChem CID62886029
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name5-[(1-phenylpyrazol-3-yl)methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2ccn(-c3ccccc3)n2)cn1
InChIInChI=1S/C15H14N4S/c16-15-7-6-14(10-17-15)20-11-12-8-9-19(18-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,16,17)
InChIKeyZBDHLZAYYSJSBA-UHFFFAOYSA-N
XLogP3.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-phenylpyrazol-3-yl)methylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[(1-phenylpyrazol-3-yl)methylsulfanyl]pyridin-2-amine (CID 62886029) is 5-[(1-phenylpyrazol-3-yl)methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[(1-phenylpyrazol-3-yl)methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[(1-phenylpyrazol-3-yl)methylsulfanyl]pyridin-2-amine is Nc1ccc(SCc2ccn(-c3ccccc3)n2)cn1.
What is the InChIKey of 5-[(1-phenylpyrazol-3-yl)methylsulfanyl]pyridin-2-amine?
The InChIKey is ZBDHLZAYYSJSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c16-15-7-6-14(10-17-15)20-11-12-8-9-19(18-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,16,17).
What are the key properties of 5-[(1-phenylpyrazol-3-yl)methylsulfanyl]pyridin-2-amine?
5-[(1-phenylpyrazol-3-yl)methylsulfanyl]pyridin-2-amine has a molecular weight of 282.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-phenylpyrazol-3-yl)methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 62886029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).