3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol

C8H15N3OS — CID 64900094

IUPAC3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol
SMILESCn1cc(SCC(N)CCO)cn1
InChIInChI=1S/C8H15N3OS/c1-11-5-8(4-10-11)13-6-7(9)2-3-12/h4-5,7,12H,2-3,6,9H2,1H3
InChIKeyFMNWZVALYLIUKE-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.22
Rot. Bonds5

About 3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol

3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol (PubChem CID 64900094) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol
PubChem CID64900094
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol
SMILESCn1cc(SCC(N)CCO)cn1
InChIInChI=1S/C8H15N3OS/c1-11-5-8(4-10-11)13-6-7(9)2-3-12/h4-5,7,12H,2-3,6,9H2,1H3
InChIKeyFMNWZVALYLIUKE-UHFFFAOYSA-N
XLogP0.22
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64627788
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
1-cyclopentyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 104755777
3-(1-methylpyrazol-4-yl)sulfanylbutan-1-amine
CID 61385321
2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol
CID 61385152
1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64625808
3-hydroxy-4-(1-methylpyrazol-4-yl)sulfanylbutanoic acid
CID 82778475
2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755787
4-[2-(bromomethyl)butylsulfanyl]-1-methylpyrazole
CID 65000653
1-(2-methylpropylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-ol
CID 115476348
3,3,3-trifluoro-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]propanoic acid
CID 80997384
1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol
CID 61385188

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol?
The IUPAC name of 3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol (CID 64900094) is 3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol.
What is the SMILES notation for 3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol?
The canonical SMILES for 3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol is Cn1cc(SCC(N)CCO)cn1.
What is the InChIKey of 3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol?
The InChIKey is FMNWZVALYLIUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-11-5-8(4-10-11)13-6-7(9)2-3-12/h4-5,7,12H,2-3,6,9H2,1H3.
What are the key properties of 3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol?
3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol has a molecular weight of 201.29 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol is sourced from PubChem (CID 64900094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).