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

C16H24N4 — CID 63310407

IUPAC1-[3-[benzyl(propan-2-yl)amino]propyl]pyrazol-3-amine
SMILESCC(C)N(CCCn1ccc(N)n1)Cc1ccccc1
InChIInChI=1S/C16H24N4/c1-14(2)19(13-15-7-4-3-5-8-15)10-6-11-20-12-9-16(17)18-20/h3-5,7-9,12,14H,6,10-11,13H2,1-2H3,(H2,17,18)
InChIKeyVHKGQVJEJXVPAC-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.77
Rot. Bonds7

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

1-[3-[benzyl(propan-2-yl)amino]propyl]pyrazol-3-amine (PubChem CID 63310407) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-[3-[benzyl(propan-2-yl)amino]propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-[benzyl(propan-2-yl)amino]propyl]pyrazol-3-amine
PubChem CID63310407
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-[3-[benzyl(propan-2-yl)amino]propyl]pyrazol-3-amine
SMILESCC(C)N(CCCn1ccc(N)n1)Cc1ccccc1
InChIInChI=1S/C16H24N4/c1-14(2)19(13-15-7-4-3-5-8-15)10-6-11-20-12-9-16(17)18-20/h3-5,7-9,12,14H,6,10-11,13H2,1-2H3,(H2,17,18)
InChIKeyVHKGQVJEJXVPAC-UHFFFAOYSA-N
XLogP2.77
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine
CID 63310545
1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310706
1-[3-[ethyl(1-methoxypropan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310320
N'-benzyl-N'-propan-2-ylheptane-1,7-diamine
CID 28597865
1-[3-(N,2-dimethylanilino)propyl]pyrazol-3-amine
CID 63310416
1-[3-(N-ethyl-2-methylanilino)propyl]pyrazol-3-amine
CID 63310337
7-[3-[benzyl(propan-2-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione
CID 110175748
3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile
CID 63310595
bis(N-benzyl-N-propan-2-ylhexadecan-1-amine);hydrobromide;hydrochloride
CID 173037592
N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849259
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 65295753

Frequently Asked Questions

What is the IUPAC name of 1-[3-[benzyl(propan-2-yl)amino]propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-[benzyl(propan-2-yl)amino]propyl]pyrazol-3-amine (CID 63310407) is 1-[3-[benzyl(propan-2-yl)amino]propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-[benzyl(propan-2-yl)amino]propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-[benzyl(propan-2-yl)amino]propyl]pyrazol-3-amine is CC(C)N(CCCn1ccc(N)n1)Cc1ccccc1.
What is the InChIKey of 1-[3-[benzyl(propan-2-yl)amino]propyl]pyrazol-3-amine?
The InChIKey is VHKGQVJEJXVPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-14(2)19(13-15-7-4-3-5-8-15)10-6-11-20-12-9-16(17)18-20/h3-5,7-9,12,14H,6,10-11,13H2,1-2H3,(H2,17,18).
What are the key properties of 1-[3-[benzyl(propan-2-yl)amino]propyl]pyrazol-3-amine?
1-[3-[benzyl(propan-2-yl)amino]propyl]pyrazol-3-amine has a molecular weight of 272.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[benzyl(propan-2-yl)amino]propyl]pyrazol-3-amine is sourced from PubChem (CID 63310407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).