1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine

C6H11N3S — CID 117217176

IUPAC1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine
SMILESCSCc1cc(N)nn1C
InChIInChI=1S/C6H11N3S/c1-9-5(4-10-2)3-6(7)8-9/h3H,4H2,1-2H3,(H2,7,8)
InChIKeyCJYLRNUFRPBILG-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.87
Rot. Bonds2

About 1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine

1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine (PubChem CID 117217176) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine
PubChem CID117217176
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine
SMILESCSCc1cc(N)nn1C
InChIInChI=1S/C6H11N3S/c1-9-5(4-10-2)3-6(7)8-9/h3H,4H2,1-2H3,(H2,7,8)
InChIKeyCJYLRNUFRPBILG-UHFFFAOYSA-N
XLogP0.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-1-methylpyrazol-3-amine
CID 83864147
5-(ethylaminomethyl)-1-methylpyrazol-3-amine
CID 117217177
5-[(2-methoxyethylamino)methyl]-1-methylpyrazol-3-amine
CID 165451091
1-methyl-5-(2-methylbutan-2-yl)pyrazol-3-amine
CID 123813361
5-fluoro-1-methylpyrazol-3-amine
CID 130658396
1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine
CID 117217148
(1-methyl-3-methylsulfanylpyrazol-5-yl)methanamine
CID 83851779
5-(aminomethyl)-1-propan-2-ylpyrazol-3-amine
CID 83863940
1,3-dimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine
CID 62188450
3-[(3-ethyl-1-methylpyrazol-5-yl)methylsulfanyl]aniline
CID 79134153
5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine
CID 122171360
5-ethylpyrazole-1,3-diamine
CID 123239006

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine?
The IUPAC name of 1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine (CID 117217176) is 1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine is CSCc1cc(N)nn1C.
What is the InChIKey of 1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine?
The InChIKey is CJYLRNUFRPBILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-9-5(4-10-2)3-6(7)8-9/h3H,4H2,1-2H3,(H2,7,8).
What are the key properties of 1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine?
1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine has a molecular weight of 157.24 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine is sourced from PubChem (CID 117217176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).