[1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol

C10H19N3OS — CID 112661702

IUPAC[1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol
SMILESCSCCN(C)c1c(CO)c(C)nn1C
InChIInChI=1S/C10H19N3OS/c1-8-9(7-14)10(13(3)11-8)12(2)5-6-15-4/h14H,5-7H2,1-4H3
InChIKeyJWWKVKNVGMMYEZ-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.02
Rot. Bonds5

About [1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol

[1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol (PubChem CID 112661702) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is [1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol
PubChem CID112661702
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name[1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol
SMILESCSCCN(C)c1c(CO)c(C)nn1C
InChIInChI=1S/C10H19N3OS/c1-8-9(7-14)10(13(3)11-8)12(2)5-6-15-4/h14H,5-7H2,1-4H3
InChIKeyJWWKVKNVGMMYEZ-UHFFFAOYSA-N
XLogP1.02
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(bromomethyl)-N,1,3-trimethyl-N-(2-methylsulfanylethyl)pyrazol-5-amine
CID 107084982
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60961185
[1,3-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol
CID 60890248
[5-(diethylamino)-1,3-dimethylpyrazol-4-yl]methanol
CID 28963363
2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol
CID 60981461
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol
CID 104552650
2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60960906
[1,3-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazol-4-yl]methanol
CID 55013920
[5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
CID 55233427
1-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-2-ol
CID 62336030
[5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
CID 63696879
2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol
CID 43554229

Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol?
The IUPAC name of [1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol (CID 112661702) is [1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol.
What is the SMILES notation for [1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol?
The canonical SMILES for [1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol is CSCCN(C)c1c(CO)c(C)nn1C.
What is the InChIKey of [1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol?
The InChIKey is JWWKVKNVGMMYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-8-9(7-14)10(13(3)11-8)12(2)5-6-15-4/h14H,5-7H2,1-4H3.
What are the key properties of [1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol?
[1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol has a molecular weight of 229.35 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol is sourced from PubChem (CID 112661702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).