1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol

C10H19N3OS — CID 61385188

IUPAC1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CSc1cnn(C)c1
InChIInChI=1S/C10H19N3OS/c1-3-4-11-5-9(14)8-15-10-6-12-13(2)7-10/h6-7,9,11,14H,3-5,8H2,1-2H3
InChIKeyFVKPGZBHEXHKQN-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.87
Rot. Bonds7

About 1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol

1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol (PubChem CID 61385188) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol
PubChem CID61385188
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CSc1cnn(C)c1
InChIInChI=1S/C10H19N3OS/c1-3-4-11-5-9(14)8-15-10-6-12-13(2)7-10/h6-7,9,11,14H,3-5,8H2,1-2H3
InChIKeyFVKPGZBHEXHKQN-UHFFFAOYSA-N
XLogP0.87
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
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-methylpropylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-ol
CID 115476348
3-hydroxy-4-(1-methylpyrazol-4-yl)sulfanylbutanoic acid
CID 82778475
N-[2-(1-methylpyrazol-4-yl)sulfanylpropyl]butan-1-amine
CID 62582315
N-[1-(4-ethylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethyl]propan-1-amine
CID 64628363
4-[2-(bromomethyl)butylsulfanyl]-1-methylpyrazole
CID 65000653
3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol
CID 64900094
5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
CID 79775276
2-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 79438534
N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine
CID 55091951
1-(1-methylpyrazol-4-yl)sulfanylbutan-2-one
CID 62041072
1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 104755786
1-ethylsulfanyl-3-(propylamino)propan-2-ol
CID 43166422

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol (CID 61385188) is 1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol is CCCNCC(O)CSc1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol?
The InChIKey is FVKPGZBHEXHKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-3-4-11-5-9(14)8-15-10-6-12-13(2)7-10/h6-7,9,11,14H,3-5,8H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol?
1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol has a molecular weight of 229.35 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol is sourced from PubChem (CID 61385188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).