1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-amine

C10H17N3OS — CID 62995162

IUPAC1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-amine
SMILESCc1nn(C)c(SC2CCOCC2)c1N
InChIInChI=1S/C10H17N3OS/c1-7-9(11)10(13(2)12-7)15-8-3-5-14-6-4-8/h8H,3-6,11H2,1-2H3
InChIKeyDKAHIZGFRGLRPP-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.58
Rot. Bonds2

About 1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-amine

1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-amine (PubChem CID 62995162) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-amine
PubChem CID62995162
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-amine
SMILESCc1nn(C)c(SC2CCOCC2)c1N
InChIInChI=1S/C10H17N3OS/c1-7-9(11)10(13(2)12-7)15-8-3-5-14-6-4-8/h8H,3-6,11H2,1-2H3
InChIKeyDKAHIZGFRGLRPP-UHFFFAOYSA-N
XLogP1.58
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylacetate
CID 312118
5-Butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554539
5-Ethylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554540
5-Tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554541
1,3-Dimethyl-5-propylsulfanylpyrazol-4-amine
CID 43554542
1,3-Dimethyl-5-(2-methylpropylsulfanyl)pyrazol-4-amine
CID 43554546
5-(2-Methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-amine
CID 43554554
5-Butylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43615658
2-(4-Amino-1,3-dimethylpyrazol-5-yl)sulfanylethanol
CID 43617385
Methyl 3-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylpropanoate
CID 43617655
Methyl 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylacetate
CID 43617917
1,3-Dimethyl-5-propan-2-ylsulfanylpyrazol-4-amine
CID 60884056

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-amine (CID 62995162) is 1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-amine is Cc1nn(C)c(SC2CCOCC2)c1N.
What is the InChIKey of 1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-amine?
The InChIKey is DKAHIZGFRGLRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7-9(11)10(13(2)12-7)15-8-3-5-14-6-4-8/h8H,3-6,11H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-amine?
1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-amine has a molecular weight of 227.33 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-amine is sourced from PubChem (CID 62995162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).