1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine

C14H28N4 — CID 63310706

IUPAC1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine
SMILESCCCCCN(CCCn1ccc(N)n1)C(C)C
InChIInChI=1S/C14H28N4/c1-4-5-6-9-17(13(2)3)10-7-11-18-12-8-14(15)16-18/h8,12-13H,4-7,9-11H2,1-3H3,(H2,15,16)
InChIKeyCLHYYXYSFDYHHU-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.76
Rot. Bonds9

About 1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine

1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine (PubChem CID 63310706) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine
PubChem CID63310706
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine
SMILESCCCCCN(CCCn1ccc(N)n1)C(C)C
InChIInChI=1S/C14H28N4/c1-4-5-6-9-17(13(2)3)10-7-11-18-12-8-14(15)16-18/h8,12-13H,4-7,9-11H2,1-3H3,(H2,15,16)
InChIKeyCLHYYXYSFDYHHU-UHFFFAOYSA-N
XLogP2.76
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.76
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-[3-[benzyl(propan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310407
1-[3-[butyl(methyl)amino]propyl]pyrazol-3-amine
CID 63310307
1-[3-[ethyl(1-methoxypropan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310320
1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine
CID 63318061
1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine
CID 63318104
1-(3-heptoxypropyl)pyrazol-3-amine
CID 63311023
1-[2-[methyl(pentan-2-yl)amino]ethyl]pyrazol-3-amine
CID 63318328
3-[3-(3-aminopyrazol-1-yl)propyl-ethylamino]-2-methylpropanenitrile
CID 63310593
1-(2-octan-2-yloxyethyl)pyrazol-3-amine
CID 63316203
1-(3-ethylsulfonylpropyl)pyrazol-3-amine
CID 65093119
2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide
CID 62113064
1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine
CID 63310545

Frequently Asked Questions

What is the IUPAC name of 1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine (CID 63310706) is 1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine is CCCCCN(CCCn1ccc(N)n1)C(C)C.
What is the InChIKey of 1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine?
The InChIKey is CLHYYXYSFDYHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-4-5-6-9-17(13(2)3)10-7-11-18-12-8-14(15)16-18/h8,12-13H,4-7,9-11H2,1-3H3,(H2,15,16).
What are the key properties of 1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine?
1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine has a molecular weight of 252.41 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine is sourced from PubChem (CID 63310706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).