1-(2-propylsulfanylethyl)pyrazol-4-amine

C8H15N3S — CID 62137009

IUPAC1-(2-propylsulfanylethyl)pyrazol-4-amine
SMILESCCCSCCn1cc(N)cn1
InChIInChI=1S/C8H15N3S/c1-2-4-12-5-3-11-7-8(9)6-10-11/h6-7H,2-5,9H2,1H3
InChIKeyMZSDVKBZPVRLIL-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.61
Rot. Bonds5

About 1-(2-propylsulfanylethyl)pyrazol-4-amine

1-(2-propylsulfanylethyl)pyrazol-4-amine (PubChem CID 62137009) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 1-(2-propylsulfanylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-propylsulfanylethyl)pyrazol-4-amine
PubChem CID62137009
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name1-(2-propylsulfanylethyl)pyrazol-4-amine
SMILESCCCSCCn1cc(N)cn1
InChIInChI=1S/C8H15N3S/c1-2-4-12-5-3-11-7-8(9)6-10-11/h6-7H,2-5,9H2,1H3
InChIKeyMZSDVKBZPVRLIL-UHFFFAOYSA-N
XLogP1.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propylsulfanylethyl)pyrazol-4-amine?
The IUPAC name of 1-(2-propylsulfanylethyl)pyrazol-4-amine (CID 62137009) is 1-(2-propylsulfanylethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-propylsulfanylethyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-propylsulfanylethyl)pyrazol-4-amine is CCCSCCn1cc(N)cn1.
What is the InChIKey of 1-(2-propylsulfanylethyl)pyrazol-4-amine?
The InChIKey is MZSDVKBZPVRLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-2-4-12-5-3-11-7-8(9)6-10-11/h6-7H,2-5,9H2,1H3.
What are the key properties of 1-(2-propylsulfanylethyl)pyrazol-4-amine?
1-(2-propylsulfanylethyl)pyrazol-4-amine has a molecular weight of 185.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylsulfanylethyl)pyrazol-4-amine is sourced from PubChem (CID 62137009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).