5-cyclopentylsulfanyl-1-methyl-3-propan-2-ylpyrazol-4-amine

C12H21N3S — CID 66010813

IUPAC5-cyclopentylsulfanyl-1-methyl-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1nn(C)c(SC2CCCC2)c1N
InChIInChI=1S/C12H21N3S/c1-8(2)11-10(13)12(15(3)14-11)16-9-6-4-5-7-9/h8-9H,4-7,13H2,1-3H3
InChIKeyIUJCRZNSEOBJKK-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.16
Rot. Bonds3

About 5-cyclopentylsulfanyl-1-methyl-3-propan-2-ylpyrazol-4-amine

5-cyclopentylsulfanyl-1-methyl-3-propan-2-ylpyrazol-4-amine (PubChem CID 66010813) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-cyclopentylsulfanyl-1-methyl-3-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name5-cyclopentylsulfanyl-1-methyl-3-propan-2-ylpyrazol-4-amine
PubChem CID66010813
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5-cyclopentylsulfanyl-1-methyl-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1nn(C)c(SC2CCCC2)c1N
InChIInChI=1S/C12H21N3S/c1-8(2)11-10(13)12(15(3)14-11)16-9-6-4-5-7-9/h8-9H,4-7,13H2,1-3H3
InChIKeyIUJCRZNSEOBJKK-UHFFFAOYSA-N
XLogP3.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentylsulfanyl-1-methyl-3-propan-2-ylpyrazol-4-amine?
The IUPAC name of 5-cyclopentylsulfanyl-1-methyl-3-propan-2-ylpyrazol-4-amine (CID 66010813) is 5-cyclopentylsulfanyl-1-methyl-3-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 5-cyclopentylsulfanyl-1-methyl-3-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 5-cyclopentylsulfanyl-1-methyl-3-propan-2-ylpyrazol-4-amine is CC(C)c1nn(C)c(SC2CCCC2)c1N.
What is the InChIKey of 5-cyclopentylsulfanyl-1-methyl-3-propan-2-ylpyrazol-4-amine?
The InChIKey is IUJCRZNSEOBJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8(2)11-10(13)12(15(3)14-11)16-9-6-4-5-7-9/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 5-cyclopentylsulfanyl-1-methyl-3-propan-2-ylpyrazol-4-amine?
5-cyclopentylsulfanyl-1-methyl-3-propan-2-ylpyrazol-4-amine has a molecular weight of 239.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylsulfanyl-1-methyl-3-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66010813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).