N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine

C10H19N3S — CID 63962229

IUPACN-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC)c1ccnn1C
InChIInChI=1S/C10H19N3S/c1-4-6-11-9(8-14-3)10-5-7-12-13(10)2/h5,7,9,11H,4,6,8H2,1-3H3
InChIKeyGRDFAESITNQXEX-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.82
Rot. Bonds6

About N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine

N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine (PubChem CID 63962229) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine
PubChem CID63962229
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSC)c1ccnn1C
InChIInChI=1S/C10H19N3S/c1-4-6-11-9(8-14-3)10-5-7-12-13(10)2/h5,7,9,11H,4,6,8H2,1-3H3
InChIKeyGRDFAESITNQXEX-UHFFFAOYSA-N
XLogP1.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65132859
1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65140370
1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine
CID 115858544
N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63960985
3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 105157948
N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963522
N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963538
1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 105153281
N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105137661
N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105377437
N-methyl-1-(2-methylpyrazol-3-yl)-2-propylsulfanylethanamine
CID 65128677

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine (CID 63962229) is N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine is CCCNC(CSC)c1ccnn1C.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine?
The InChIKey is GRDFAESITNQXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-6-11-9(8-14-3)10-5-7-12-13(10)2/h5,7,9,11H,4,6,8H2,1-3H3.
What are the key properties of N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine?
N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine has a molecular weight of 213.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 63962229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).