N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine

C11H21N3S — CID 104923033

IUPACN-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine
SMILESCSCCCCCNCc1ccnn1C
InChIInChI=1S/C11H21N3S/c1-14-11(6-8-13-14)10-12-7-4-3-5-9-15-2/h6,8,12H,3-5,7,9-10H2,1-2H3
InChIKeyCGHSCQUILWVTIO-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.04
Rot. Bonds8

About N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine

N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine (PubChem CID 104923033) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine
PubChem CID104923033
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine
SMILESCSCCCCCNCc1ccnn1C
InChIInChI=1S/C11H21N3S/c1-14-11(6-8-13-14)10-12-7-4-3-5-9-15-2/h6,8,12H,3-5,7,9-10H2,1-2H3
InChIKeyCGHSCQUILWVTIO-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923234
4-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114556165
N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 43663207
4-[(2-methylpyrazol-3-yl)methylamino]butanamide
CID 60863582
3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
CID 43435289
3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43663329
3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 43663377
3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43663301
6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol
CID 107703692
5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 107316767
2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 104562263
N-[(2-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115671266

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine (CID 104923033) is N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine is CSCCCCCNCc1ccnn1C.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine?
The InChIKey is CGHSCQUILWVTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-14-11(6-8-13-14)10-12-7-4-3-5-9-15-2/h6,8,12H,3-5,7,9-10H2,1-2H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine?
N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine has a molecular weight of 227.38 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine is sourced from PubChem (CID 104923033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).