4-cyclohexylsulfanyl-1H-pyrazol-5-amine

C9H15N3S — CID 78969095

IUPAC4-cyclohexylsulfanyl-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1SC1CCCCC1
InChIInChI=1S/C9H15N3S/c10-9-8(6-11-12-9)13-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,10,11,12)
InChIKeyQWAAGDCCDPHIMZ-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.42
Rot. Bonds2

About 4-cyclohexylsulfanyl-1H-pyrazol-5-amine

4-cyclohexylsulfanyl-1H-pyrazol-5-amine (PubChem CID 78969095) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 4-cyclohexylsulfanyl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-cyclohexylsulfanyl-1H-pyrazol-5-amine
PubChem CID78969095
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name4-cyclohexylsulfanyl-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1SC1CCCCC1
InChIInChI=1S/C9H15N3S/c10-9-8(6-11-12-9)13-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,10,11,12)
InChIKeyQWAAGDCCDPHIMZ-UHFFFAOYSA-N
XLogP2.42
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfanyl-1H-pyrazol-5-amine?
The IUPAC name of 4-cyclohexylsulfanyl-1H-pyrazol-5-amine (CID 78969095) is 4-cyclohexylsulfanyl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-cyclohexylsulfanyl-1H-pyrazol-5-amine?
The canonical SMILES for 4-cyclohexylsulfanyl-1H-pyrazol-5-amine is Nc1[nH]ncc1SC1CCCCC1.
What is the InChIKey of 4-cyclohexylsulfanyl-1H-pyrazol-5-amine?
The InChIKey is QWAAGDCCDPHIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c10-9-8(6-11-12-9)13-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,10,11,12).
What are the key properties of 4-cyclohexylsulfanyl-1H-pyrazol-5-amine?
4-cyclohexylsulfanyl-1H-pyrazol-5-amine has a molecular weight of 197.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfanyl-1H-pyrazol-5-amine is sourced from PubChem (CID 78969095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).