1-methyl-4-prop-2-ynylsulfanylpyrazole

C7H8N2S — CID 61385032

IUPAC1-methyl-4-prop-2-ynylsulfanylpyrazole
SMILESC#CCSc1cnn(C)c1
InChIInChI=1S/C7H8N2S/c1-3-4-10-7-5-8-9(2)6-7/h1,5-6H,4H2,2H3
InChIKeySIRQTEYLEJXWQJ-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.15
Rot. Bonds2

About 1-methyl-4-prop-2-ynylsulfanylpyrazole

1-methyl-4-prop-2-ynylsulfanylpyrazole (PubChem CID 61385032) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 1-methyl-4-prop-2-ynylsulfanylpyrazole.

Molecular Properties

Compound Name1-methyl-4-prop-2-ynylsulfanylpyrazole
PubChem CID61385032
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name1-methyl-4-prop-2-ynylsulfanylpyrazole
SMILESC#CCSc1cnn(C)c1
InChIInChI=1S/C7H8N2S/c1-3-4-10-7-5-8-9(2)6-7/h1,5-6H,4H2,2H3
InChIKeySIRQTEYLEJXWQJ-UHFFFAOYSA-N
XLogP1.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(bromomethyl)butylsulfanyl]-1-methylpyrazole
CID 65000653
1-(1-methylpyrazol-4-yl)sulfanylbutan-2-one
CID 62041072
S-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 134606246
4-[2-(2,5-dimethylpyrrol-1-yl)ethylsulfanyl]-1-methylpyrazole
CID 112707186
2-[2-(1-methylpyrazol-4-yl)sulfanylethoxy]ethanol
CID 61385152
4-[2-(2-chloroethoxy)ethylsulfanyl]-1-methylpyrazole
CID 63665683
4-(1-methylpyrazol-4-yl)sulfanylbutanoic acid
CID 61384823
1-methoxy-3-(1-methylpyrazol-4-yl)sulfanylpropan-2-one
CID 107508323
3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol
CID 64900094
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64627788
N-(2-methyl-4-oxopentan-3-yl)-2-(1-methylpyrazol-4-yl)sulfanylacetamide
CID 61385169
3-(1-methylpyrazol-4-yl)sulfanylbutan-1-amine
CID 61385321

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-prop-2-ynylsulfanylpyrazole?
The IUPAC name of 1-methyl-4-prop-2-ynylsulfanylpyrazole (CID 61385032) is 1-methyl-4-prop-2-ynylsulfanylpyrazole.
What is the SMILES notation for 1-methyl-4-prop-2-ynylsulfanylpyrazole?
The canonical SMILES for 1-methyl-4-prop-2-ynylsulfanylpyrazole is C#CCSc1cnn(C)c1.
What is the InChIKey of 1-methyl-4-prop-2-ynylsulfanylpyrazole?
The InChIKey is SIRQTEYLEJXWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-3-4-10-7-5-8-9(2)6-7/h1,5-6H,4H2,2H3.
What are the key properties of 1-methyl-4-prop-2-ynylsulfanylpyrazole?
1-methyl-4-prop-2-ynylsulfanylpyrazole has a molecular weight of 152.22 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-2-ynylsulfanylpyrazole is sourced from PubChem (CID 61385032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).