1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine

C10H13N3S2 — CID 63311120

IUPAC1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine
SMILESNc1ccn(CCCSc2cccs2)n1
InChIInChI=1S/C10H13N3S2/c11-9-4-6-13(12-9)5-2-8-15-10-3-1-7-14-10/h1,3-4,6-7H,2,5,8H2,(H2,11,12)
InChIKeySNKKAXOEQUBCMB-UHFFFAOYSA-N
MW239.37 g/mol
LogP2.71
Rot. Bonds5

About 1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine

1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine (PubChem CID 63311120) has the molecular formula C10H13N3S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is 1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine
PubChem CID63311120
Molecular FormulaC10H13N3S2
Molecular Weight239.37 g/mol
Exact Mass239.06
IUPAC Name1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine
SMILESNc1ccn(CCCSc2cccs2)n1
InChIInChI=1S/C10H13N3S2/c11-9-4-6-13(12-9)5-2-8-15-10-3-1-7-14-10/h1,3-4,6-7H,2,5,8H2,(H2,11,12)
InChIKeySNKKAXOEQUBCMB-UHFFFAOYSA-N
XLogP2.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-thiophen-2-ylethyl)pyrazol-3-amine
CID 63773628
1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrazol-3-amine
CID 113298612
3-(3-aminopyrazol-1-yl)propan-1-ol
CID 50989707
1-[3-(4-methylsulfonylphenyl)sulfanylpropyl]pyrazol-3-amine
CID 63311076
1-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine
CID 63311425
2-[3-(3-aminopyrazol-1-yl)propylsulfanyl]-1H-pyrimidin-6-one
CID 63311122
N-[4-[3-(3-aminopyrazol-1-yl)propylsulfanyl]phenyl]acetamide
CID 63310941
1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propyl]pyrazol-3-amine
CID 115478402
2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol
CID 63316468
1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine
CID 175527652
1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazol-3-amine
CID 63315822
1-[3-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]pyrazol-3-amine
CID 63310896

Frequently Asked Questions

What is the IUPAC name of 1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine?
The IUPAC name of 1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine (CID 63311120) is 1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine.
What is the SMILES notation for 1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine?
The canonical SMILES for 1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine is Nc1ccn(CCCSc2cccs2)n1.
What is the InChIKey of 1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine?
The InChIKey is SNKKAXOEQUBCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S2/c11-9-4-6-13(12-9)5-2-8-15-10-3-1-7-14-10/h1,3-4,6-7H,2,5,8H2,(H2,11,12).
What are the key properties of 1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine?
1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine has a molecular weight of 239.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine is sourced from PubChem (CID 63311120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).