N-ethylsulfanyl-1H-pyrazol-5-amine

C5H9N3S — CID 139658544

IUPACN-ethylsulfanyl-1H-pyrazol-5-amine
SMILESCCSNc1ccn[nH]1
InChIInChI=1S/C5H9N3S/c1-2-9-8-5-3-4-6-7-5/h3-4H,2H2,1H3,(H2,6,7,8)
InChIKeyHQCPFKANXGHFBN-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.49
Rot. Bonds3

About N-ethylsulfanyl-1H-pyrazol-5-amine

N-ethylsulfanyl-1H-pyrazol-5-amine (PubChem CID 139658544) has the molecular formula C5H9N3S and a molecular weight of 143.21 g/mol. Its IUPAC name is N-ethylsulfanyl-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-ethylsulfanyl-1H-pyrazol-5-amine
PubChem CID139658544
Molecular FormulaC5H9N3S
Molecular Weight143.21 g/mol
Exact Mass143.05
IUPAC NameN-ethylsulfanyl-1H-pyrazol-5-amine
SMILESCCSNc1ccn[nH]1
InChIInChI=1S/C5H9N3S/c1-2-9-8-5-3-4-6-7-5/h3-4H,2H2,1H3,(H2,6,7,8)
InChIKeyHQCPFKANXGHFBN-UHFFFAOYSA-N
XLogP1.49
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylsulfanyl-1H-pyrazol-5-amine?
The IUPAC name of N-ethylsulfanyl-1H-pyrazol-5-amine (CID 139658544) is N-ethylsulfanyl-1H-pyrazol-5-amine.
What is the SMILES notation for N-ethylsulfanyl-1H-pyrazol-5-amine?
The canonical SMILES for N-ethylsulfanyl-1H-pyrazol-5-amine is CCSNc1ccn[nH]1.
What is the InChIKey of N-ethylsulfanyl-1H-pyrazol-5-amine?
The InChIKey is HQCPFKANXGHFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-2-9-8-5-3-4-6-7-5/h3-4H,2H2,1H3,(H2,6,7,8).
What are the key properties of N-ethylsulfanyl-1H-pyrazol-5-amine?
N-ethylsulfanyl-1H-pyrazol-5-amine has a molecular weight of 143.21 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfanyl-1H-pyrazol-5-amine is sourced from PubChem (CID 139658544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).