5-(methylsulfanylmethyl)-1H-pyrazol-3-amine

C5H9N3S — CID 117215907

IUPAC5-(methylsulfanylmethyl)-1H-pyrazol-3-amine
SMILESCSCc1cc(N)n[nH]1
InChIInChI=1S/C5H9N3S/c1-9-3-4-2-5(6)8-7-4/h2H,3H2,1H3,(H3,6,7,8)
InChIKeyRYXYGNKZLAOTFJ-UHFFFAOYSA-N
MW143.22 g/mol
LogP0.85
Rot. Bonds2

About 5-(methylsulfanylmethyl)-1H-pyrazol-3-amine

5-(methylsulfanylmethyl)-1H-pyrazol-3-amine (PubChem CID 117215907) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is 5-(methylsulfanylmethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(methylsulfanylmethyl)-1H-pyrazol-3-amine
PubChem CID117215907
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC Name5-(methylsulfanylmethyl)-1H-pyrazol-3-amine
SMILESCSCc1cc(N)n[nH]1
InChIInChI=1S/C5H9N3S/c1-9-3-4-2-5(6)8-7-4/h2H,3H2,1H3,(H3,6,7,8)
InChIKeyRYXYGNKZLAOTFJ-UHFFFAOYSA-N
XLogP0.85
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfanylmethyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(methylsulfanylmethyl)-1H-pyrazol-3-amine (CID 117215907) is 5-(methylsulfanylmethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(methylsulfanylmethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(methylsulfanylmethyl)-1H-pyrazol-3-amine is CSCc1cc(N)n[nH]1.
What is the InChIKey of 5-(methylsulfanylmethyl)-1H-pyrazol-3-amine?
The InChIKey is RYXYGNKZLAOTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-9-3-4-2-5(6)8-7-4/h2H,3H2,1H3,(H3,6,7,8).
What are the key properties of 5-(methylsulfanylmethyl)-1H-pyrazol-3-amine?
5-(methylsulfanylmethyl)-1H-pyrazol-3-amine has a molecular weight of 143.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfanylmethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117215907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).