4-benzylsulfanyl-1H-pyrazol-5-amine

C10H11N3S — CID 78969078

IUPAC4-benzylsulfanyl-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1SCc1ccccc1
InChIInChI=1S/C10H11N3S/c11-10-9(6-12-13-10)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,11,12,13)
InChIKeyYBJXXTPDLISQHB-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.28
Rot. Bonds3

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

4-benzylsulfanyl-1H-pyrazol-5-amine (PubChem CID 78969078) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 4-benzylsulfanyl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-benzylsulfanyl-1H-pyrazol-5-amine
PubChem CID78969078
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name4-benzylsulfanyl-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1SCc1ccccc1
InChIInChI=1S/C10H11N3S/c11-10-9(6-12-13-10)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,11,12,13)
InChIKeyYBJXXTPDLISQHB-UHFFFAOYSA-N
XLogP2.28
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-1H-pyrazol-5-amine?
The IUPAC name of 4-benzylsulfanyl-1H-pyrazol-5-amine (CID 78969078) is 4-benzylsulfanyl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-benzylsulfanyl-1H-pyrazol-5-amine?
The canonical SMILES for 4-benzylsulfanyl-1H-pyrazol-5-amine is Nc1[nH]ncc1SCc1ccccc1.
What is the InChIKey of 4-benzylsulfanyl-1H-pyrazol-5-amine?
The InChIKey is YBJXXTPDLISQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c11-10-9(6-12-13-10)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,11,12,13).
What are the key properties of 4-benzylsulfanyl-1H-pyrazol-5-amine?
4-benzylsulfanyl-1H-pyrazol-5-amine has a molecular weight of 205.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-1H-pyrazol-5-amine is sourced from PubChem (CID 78969078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).