N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine

C10H19N3S — CID 115972031

IUPACN-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCCNC(C)c1cn[nH]c1C
InChIInChI=1S/C10H19N3S/c1-8(11-5-4-6-14-3)10-7-12-13-9(10)2/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyZQAMPBOOSIUKAB-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.12
Rot. Bonds6

About N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine

N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine (PubChem CID 115972031) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
PubChem CID115972031
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCCNC(C)c1cn[nH]c1C
InChIInChI=1S/C10H19N3S/c1-8(11-5-4-6-14-3)10-7-12-13-9(10)2/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyZQAMPBOOSIUKAB-UHFFFAOYSA-N
XLogP2.12
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 115970785
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfinylpropan-1-amine
CID 115972018
N'-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115971793
N-[1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43181577
N-[(1R)-1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28653117
1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine
CID 115970342
N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 115974600
2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide
CID 115735326
2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol
CID 110010541
N-[(1R)-1-(2-chlorophenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28649407
2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine
CID 115971740
3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 115970374

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine (CID 115972031) is N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine is CSCCCNC(C)c1cn[nH]c1C.
What is the InChIKey of N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is ZQAMPBOOSIUKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8(11-5-4-6-14-3)10-7-12-13-9(10)2/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine?
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 213.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115972031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).