5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine

C7H13N3S — CID 43554540

IUPAC5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine
SMILESCCSc1c(N)c(C)nn1C
InChIInChI=1S/C7H13N3S/c1-4-11-7-6(8)5(2)9-10(7)3/h4,8H2,1-3H3
InChIKeyGELGRUADOMYEGG-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.42
Rot. Bonds2

About 5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine

5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine (PubChem CID 43554540) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine
PubChem CID43554540
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine
SMILESCCSc1c(N)c(C)nn1C
InChIInChI=1S/C7H13N3S/c1-4-11-7-6(8)5(2)9-10(7)3/h4,8H2,1-3H3
InChIKeyGELGRUADOMYEGG-UHFFFAOYSA-N
XLogP1.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopentylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 63114516
1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine
CID 104602839
3-methyl-5-(2-methylpropylsulfanyl)-1-propylpyrazol-4-amine
CID 66028469
1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-amine
CID 115382767
1,3-dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine
CID 43554535
3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine
CID 66028474
ethyl 2-(4-amino-3-methyl-1-propylpyrazol-5-yl)sulfanylacetate
CID 66029241
5-(3-bromophenyl)sulfanyl-1,3-dimethylpyrazol-4-amine
CID 62804408
1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-amine
CID 107747553
(1,3-dimethyl-5-pentylsulfanylpyrazol-4-yl)methanamine
CID 107751983
3-ethyl-1-methyl-5-(2-methylsulfonylethylsulfanyl)pyrazol-4-amine
CID 66015886
5-(2-ethoxyethoxy)-1,3-dimethylpyrazol-4-amine
CID 43554429

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine (CID 43554540) is 5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine is CCSc1c(N)c(C)nn1C.
What is the InChIKey of 5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine?
The InChIKey is GELGRUADOMYEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-4-11-7-6(8)5(2)9-10(7)3/h4,8H2,1-3H3.
What are the key properties of 5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine?
5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine has a molecular weight of 171.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 43554540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).