1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine

C11H22N4 — CID 63318061

IUPAC1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine
SMILESCCCCCN(C)CCn1ccc(N)n1
InChIInChI=1S/C11H22N4/c1-3-4-5-7-14(2)9-10-15-8-6-11(12)13-15/h6,8H,3-5,7,9-10H2,1-2H3,(H2,12,13)
InChIKeyINIONJNVQHOUMR-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.59
Rot. Bonds7

About 1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine

1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine (PubChem CID 63318061) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine
PubChem CID63318061
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine
SMILESCCCCCN(C)CCn1ccc(N)n1
InChIInChI=1S/C11H22N4/c1-3-4-5-7-14(2)9-10-15-8-6-11(12)13-15/h6,8H,3-5,7,9-10H2,1-2H3,(H2,12,13)
InChIKeyINIONJNVQHOUMR-UHFFFAOYSA-N
XLogP1.59
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.59
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

1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine
CID 63318104
1-[3-[butyl(methyl)amino]propyl]pyrazol-3-amine
CID 63310307
1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310706
2-[2-(3-aminopyrazol-1-yl)ethyl-butylamino]ethanol
CID 63316054
1-[2-[methyl(pentan-2-yl)amino]ethyl]pyrazol-3-amine
CID 63318328
1-(3-heptoxypropyl)pyrazol-3-amine
CID 63311023
1-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]pyrazol-3-amine
CID 63318510
2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide
CID 62113064
3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile
CID 63310595
2-[2-(3-aminopyrazol-1-yl)ethyl-methylamino]-N-propan-2-ylacetamide
CID 63316097
1-(2-octan-2-yloxyethyl)pyrazol-3-amine
CID 63316203
1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine
CID 79304239

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine (CID 63318061) is 1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine is CCCCCN(C)CCn1ccc(N)n1.
What is the InChIKey of 1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine?
The InChIKey is INIONJNVQHOUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-3-4-5-7-14(2)9-10-15-8-6-11(12)13-15/h6,8H,3-5,7,9-10H2,1-2H3,(H2,12,13).
What are the key properties of 1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine?
1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine has a molecular weight of 210.32 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine is sourced from PubChem (CID 63318061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).