[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-propylcyclohexyl]methanamine

C15H27N3S — CID 55070583

IUPAC[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Sc2cc(C)nn2C)C1
InChIInChI=1S/C15H27N3S/c1-4-5-12-6-7-13(10-16)14(9-12)19-15-8-11(2)17-18(15)3/h8,12-14H,4-7,9-10,16H2,1-3H3
InChIKeyAZTMUSJMDDMOOP-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.36
Rot. Bonds5

About [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-propylcyclohexyl]methanamine

[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-propylcyclohexyl]methanamine (PubChem CID 55070583) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-propylcyclohexyl]methanamine
PubChem CID55070583
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Sc2cc(C)nn2C)C1
InChIInChI=1S/C15H27N3S/c1-4-5-12-6-7-13(10-16)14(9-12)19-15-8-11(2)17-18(15)3/h8,12-14H,4-7,9-10,16H2,1-3H3
InChIKeyAZTMUSJMDDMOOP-UHFFFAOYSA-N
XLogP3.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-propylcyclohexyl]methanamine (CID 55070583) is [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(Sc2cc(C)nn2C)C1.
What is the InChIKey of [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-propylcyclohexyl]methanamine?
The InChIKey is AZTMUSJMDDMOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-5-12-6-7-13(10-16)14(9-12)19-15-8-11(2)17-18(15)3/h8,12-14H,4-7,9-10,16H2,1-3H3.
What are the key properties of [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-propylcyclohexyl]methanamine?
[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-propylcyclohexyl]methanamine has a molecular weight of 281.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 55070583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).