1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-amine

C10H17N3OS — CID 107747553

IUPAC1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-amine
SMILESCc1nn(C)c(SC2CCOC2C)c1N
InChIInChI=1S/C10H17N3OS/c1-6-9(11)10(13(3)12-6)15-8-4-5-14-7(8)2/h7-8H,4-5,11H2,1-3H3
InChIKeyZWXUYBIQTLBHHK-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.58
Rot. Bonds2

About 1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-amine

1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-amine (PubChem CID 107747553) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-amine
PubChem CID107747553
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-amine
SMILESCc1nn(C)c(SC2CCOC2C)c1N
InChIInChI=1S/C10H17N3OS/c1-6-9(11)10(13(3)12-6)15-8-4-5-14-7(8)2/h7-8H,4-5,11H2,1-3H3
InChIKeyZWXUYBIQTLBHHK-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

N-[[1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-yl]methyl]cyclopropanamine
CID 107761321
5-cyclopentylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 63114516
3-methyl-5-(2-methyloxolan-3-yl)sulfanyl-1-phenylpyrazole-4-carbaldehyde
CID 107761112
2-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine
CID 107747529
5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554540
N'-hydroxy-5,6-dimethyl-3-(2-methyloxolan-3-yl)sulfanylpyridazine-4-carboximidamide
CID 136806017
2-N,2-N-dimethyl-6-(2-methyloxolan-3-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 107765163
1,3-dimethyl-5-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyrazol-4-amine
CID 13338437
5-fluoro-4-methyl-2-(2-methyloxolan-3-yl)sulfanylaniline
CID 107747628
6-(2-methyloxolan-3-yl)sulfanyl-2-propylpyrimidin-4-amine
CID 107765101
4-(2-methyloxolan-3-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 107765184
2-(2-methyloxolan-3-yl)sulfanyl-6-methylsulfonylaniline
CID 107747565

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-amine (CID 107747553) is 1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-amine is Cc1nn(C)c(SC2CCOC2C)c1N.
What is the InChIKey of 1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-amine?
The InChIKey is ZWXUYBIQTLBHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6-9(11)10(13(3)12-6)15-8-4-5-14-7(8)2/h7-8H,4-5,11H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-amine?
1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-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-(2-methyloxolan-3-yl)sulfanylpyrazol-4-amine is sourced from PubChem (CID 107747553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).