3-(1-sulfanylpyrazol-4-yl)oxypropan-1-amine

C6H11N3OS — CID 117229964

IUPAC3-(1-sulfanylpyrazol-4-yl)oxypropan-1-amine
SMILESNCCCOc1cnn(S)c1
InChIInChI=1S/C6H11N3OS/c7-2-1-3-10-6-4-8-9(11)5-6/h4-5,11H,1-3,7H2
InChIKeySWUYQBZUFPCOFP-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.30
Rot. Bonds4

About 3-(1-sulfanylpyrazol-4-yl)oxypropan-1-amine

3-(1-sulfanylpyrazol-4-yl)oxypropan-1-amine (PubChem CID 117229964) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-(1-sulfanylpyrazol-4-yl)oxypropan-1-amine.

Molecular Properties

Compound Name3-(1-sulfanylpyrazol-4-yl)oxypropan-1-amine
PubChem CID117229964
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name3-(1-sulfanylpyrazol-4-yl)oxypropan-1-amine
SMILESNCCCOc1cnn(S)c1
InChIInChI=1S/C6H11N3OS/c7-2-1-3-10-6-4-8-9(11)5-6/h4-5,11H,1-3,7H2
InChIKeySWUYQBZUFPCOFP-UHFFFAOYSA-N
XLogP0.30
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

CID 13484068
CID 13484068
CID 19962884
CID 19962884
CID 21398053
CID 21398053
CID 91527941
CID 91527941
CID 15369772
CID 15369772
CID 13563347
CID 13563347
CID 21398067
CID 21398067
CID 59093252
CID 59093252
CID 68802181
CID 68802181
CID 97179611
CID 97179611
CID 117233522
CID 117233522
CID 117233524
CID 117233524

Frequently Asked Questions

What is the IUPAC name of 3-(1-sulfanylpyrazol-4-yl)oxypropan-1-amine?
The IUPAC name of 3-(1-sulfanylpyrazol-4-yl)oxypropan-1-amine (CID 117229964) is 3-(1-sulfanylpyrazol-4-yl)oxypropan-1-amine.
What is the SMILES notation for 3-(1-sulfanylpyrazol-4-yl)oxypropan-1-amine?
The canonical SMILES for 3-(1-sulfanylpyrazol-4-yl)oxypropan-1-amine is NCCCOc1cnn(S)c1.
What is the InChIKey of 3-(1-sulfanylpyrazol-4-yl)oxypropan-1-amine?
The InChIKey is SWUYQBZUFPCOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c7-2-1-3-10-6-4-8-9(11)5-6/h4-5,11H,1-3,7H2.
What are the key properties of 3-(1-sulfanylpyrazol-4-yl)oxypropan-1-amine?
3-(1-sulfanylpyrazol-4-yl)oxypropan-1-amine has a molecular weight of 173.24 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-sulfanylpyrazol-4-yl)oxypropan-1-amine is sourced from PubChem (CID 117229964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).