1-[3-(3-methylcyclohexyl)sulfanylpropyl]pyrazol-3-amine

C13H23N3S — CID 63310858

IUPAC1-[3-(3-methylcyclohexyl)sulfanylpropyl]pyrazol-3-amine
SMILESCC1CCCC(SCCCn2ccc(N)n2)C1
InChIInChI=1S/C13H23N3S/c1-11-4-2-5-12(10-11)17-9-3-7-16-8-6-13(14)15-16/h6,8,11-12H,2-5,7,9-10H2,1H3,(H2,14,15)
InChIKeyCHFGIRACBHKNID-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.17
Rot. Bonds5

About 1-[3-(3-methylcyclohexyl)sulfanylpropyl]pyrazol-3-amine

1-[3-(3-methylcyclohexyl)sulfanylpropyl]pyrazol-3-amine (PubChem CID 63310858) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[3-(3-methylcyclohexyl)sulfanylpropyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-(3-methylcyclohexyl)sulfanylpropyl]pyrazol-3-amine
PubChem CID63310858
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-[3-(3-methylcyclohexyl)sulfanylpropyl]pyrazol-3-amine
SMILESCC1CCCC(SCCCn2ccc(N)n2)C1
InChIInChI=1S/C13H23N3S/c1-11-4-2-5-12(10-11)17-9-3-7-16-8-6-13(14)15-16/h6,8,11-12H,2-5,7,9-10H2,1H3,(H2,14,15)
InChIKeyCHFGIRACBHKNID-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-methylcyclohexyl)oxyethyl]pyrazol-3-amine
CID 63316335
5-(3-methylcyclohexyl)sulfanylpentan-1-amine
CID 62721729
2-(3-aminopyrazol-1-yl)-N-methyl-N-(3-methylcyclohexyl)acetamide
CID 62114088
1-[3-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]pyrazol-3-amine
CID 63310896
1-[2-(2-methylpyrrolidin-1-yl)ethyl]pyrazol-3-amine
CID 63318333
1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-3-amine
CID 63316214
N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine
CID 62720477
1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]pyrazol-3-amine
CID 63316357
1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine
CID 63315810
1-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine
CID 63311425
1-amino-4-(3-methylcyclohexyl)sulfanyl-2-phenylbutan-2-ol
CID 116696101
1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine
CID 102956385

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylcyclohexyl)sulfanylpropyl]pyrazol-3-amine?
The IUPAC name of 1-[3-(3-methylcyclohexyl)sulfanylpropyl]pyrazol-3-amine (CID 63310858) is 1-[3-(3-methylcyclohexyl)sulfanylpropyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-(3-methylcyclohexyl)sulfanylpropyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-(3-methylcyclohexyl)sulfanylpropyl]pyrazol-3-amine is CC1CCCC(SCCCn2ccc(N)n2)C1.
What is the InChIKey of 1-[3-(3-methylcyclohexyl)sulfanylpropyl]pyrazol-3-amine?
The InChIKey is CHFGIRACBHKNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-11-4-2-5-12(10-11)17-9-3-7-16-8-6-13(14)15-16/h6,8,11-12H,2-5,7,9-10H2,1H3,(H2,14,15).
What are the key properties of 1-[3-(3-methylcyclohexyl)sulfanylpropyl]pyrazol-3-amine?
1-[3-(3-methylcyclohexyl)sulfanylpropyl]pyrazol-3-amine has a molecular weight of 253.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylcyclohexyl)sulfanylpropyl]pyrazol-3-amine is sourced from PubChem (CID 63310858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).