N-(3-methylsulfanylpropyl)-1H-pyrazol-4-amine

C7H13N3S — CID 43539864

IUPACN-(3-methylsulfanylpropyl)-1H-pyrazol-4-amine
SMILESCSCCCNc1cn[nH]c1
InChIInChI=1S/C7H13N3S/c1-11-4-2-3-8-7-5-9-10-6-7/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyLARKDGBLBPGWIY-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.57
Rot. Bonds5

About N-(3-methylsulfanylpropyl)-1H-pyrazol-4-amine

N-(3-methylsulfanylpropyl)-1H-pyrazol-4-amine (PubChem CID 43539864) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-1H-pyrazol-4-amine
PubChem CID43539864
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN-(3-methylsulfanylpropyl)-1H-pyrazol-4-amine
SMILESCSCCCNc1cn[nH]c1
InChIInChI=1S/C7H13N3S/c1-11-4-2-3-8-7-5-9-10-6-7/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyLARKDGBLBPGWIY-UHFFFAOYSA-N
XLogP1.57
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)-1H-pyrazol-4-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)-1H-pyrazol-4-amine (CID 43539864) is N-(3-methylsulfanylpropyl)-1H-pyrazol-4-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-1H-pyrazol-4-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)-1H-pyrazol-4-amine is CSCCCNc1cn[nH]c1.
What is the InChIKey of N-(3-methylsulfanylpropyl)-1H-pyrazol-4-amine?
The InChIKey is LARKDGBLBPGWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-11-4-2-3-8-7-5-9-10-6-7/h5-6,8H,2-4H2,1H3,(H,9,10).
What are the key properties of N-(3-methylsulfanylpropyl)-1H-pyrazol-4-amine?
N-(3-methylsulfanylpropyl)-1H-pyrazol-4-amine has a molecular weight of 171.27 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 43539864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).