5-(cyclopentylmethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine

C13H23N3S — CID 66018158

IUPAC5-(cyclopentylmethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(SCC2CCCC2)c1N
InChIInChI=1S/C13H23N3S/c1-3-6-11-12(14)13(16(2)15-11)17-9-10-7-4-5-8-10/h10H,3-9,14H2,1-2H3
InChIKeyYBKXIMXGRJPORT-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.24
Rot. Bonds5

About 5-(cyclopentylmethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine

5-(cyclopentylmethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine (PubChem CID 66018158) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-(cyclopentylmethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-(cyclopentylmethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine
PubChem CID66018158
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-(cyclopentylmethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(SCC2CCCC2)c1N
InChIInChI=1S/C13H23N3S/c1-3-6-11-12(14)13(16(2)15-11)17-9-10-7-4-5-8-10/h10H,3-9,14H2,1-2H3
InChIKeyYBKXIMXGRJPORT-UHFFFAOYSA-N
XLogP3.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine?
The IUPAC name of 5-(cyclopentylmethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine (CID 66018158) is 5-(cyclopentylmethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine.
What is the SMILES notation for 5-(cyclopentylmethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine?
The canonical SMILES for 5-(cyclopentylmethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine is CCCc1nn(C)c(SCC2CCCC2)c1N.
What is the InChIKey of 5-(cyclopentylmethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine?
The InChIKey is YBKXIMXGRJPORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-6-11-12(14)13(16(2)15-11)17-9-10-7-4-5-8-10/h10H,3-9,14H2,1-2H3.
What are the key properties of 5-(cyclopentylmethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine?
5-(cyclopentylmethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine has a molecular weight of 253.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine is sourced from PubChem (CID 66018158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).