3-(1-methylpyrazol-4-yl)sulfanylbutan-1-amine

C8H15N3S — CID 61385321

IUPAC3-(1-methylpyrazol-4-yl)sulfanylbutan-1-amine
SMILESCC(CCN)Sc1cnn(C)c1
InChIInChI=1S/C8H15N3S/c1-7(3-4-9)12-8-5-10-11(2)6-8/h5-7H,3-4,9H2,1-2H3
InChIKeyHAZHMHJNANCDHQ-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.25
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)sulfanylbutan-1-amine

3-(1-methylpyrazol-4-yl)sulfanylbutan-1-amine (PubChem CID 61385321) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)sulfanylbutan-1-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)sulfanylbutan-1-amine
PubChem CID61385321
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name3-(1-methylpyrazol-4-yl)sulfanylbutan-1-amine
SMILESCC(CCN)Sc1cnn(C)c1
InChIInChI=1S/C8H15N3S/c1-7(3-4-9)12-8-5-10-11(2)6-8/h5-7H,3-4,9H2,1-2H3
InChIKeyHAZHMHJNANCDHQ-UHFFFAOYSA-N
XLogP1.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 55016886
3-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]butan-1-amine
CID 103003171
N-[2-(1-methylpyrazol-4-yl)sulfanylpropyl]butan-1-amine
CID 62582315
3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol
CID 64900094
S-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 134606246
methyl 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propan-2-ylamino)pentanoate
CID 64703307
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64627788
2-methyl-2-(methylamino)-4-(1-methylpyrazol-4-yl)sulfanylpentanoic acid
CID 64705302
4-amino-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-one
CID 116594802
N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-amine
CID 55091951
2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide
CID 64702917
3-amino-4,4-dimethyl-2-(1-methylpyrazol-4-yl)sulfanylpentan-1-ol
CID 114370571

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)sulfanylbutan-1-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)sulfanylbutan-1-amine (CID 61385321) is 3-(1-methylpyrazol-4-yl)sulfanylbutan-1-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)sulfanylbutan-1-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)sulfanylbutan-1-amine is CC(CCN)Sc1cnn(C)c1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)sulfanylbutan-1-amine?
The InChIKey is HAZHMHJNANCDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-7(3-4-9)12-8-5-10-11(2)6-8/h5-7H,3-4,9H2,1-2H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)sulfanylbutan-1-amine?
3-(1-methylpyrazol-4-yl)sulfanylbutan-1-amine has a molecular weight of 185.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)sulfanylbutan-1-amine is sourced from PubChem (CID 61385321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).