1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine

C15H22N4 — CID 63310545

IUPAC1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine
SMILESCCN(CCCn1ccc(N)n1)Cc1ccccc1
InChIInChI=1S/C15H22N4/c1-2-18(13-14-7-4-3-5-8-14)10-6-11-19-12-9-15(16)17-19/h3-5,7-9,12H,2,6,10-11,13H2,1H3,(H2,16,17)
InChIKeyVNFMCBVVXMWJKB-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.38
Rot. Bonds7

About 1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine

1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine (PubChem CID 63310545) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine
PubChem CID63310545
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine
SMILESCCN(CCCn1ccc(N)n1)Cc1ccccc1
InChIInChI=1S/C15H22N4/c1-2-18(13-14-7-4-3-5-8-14)10-6-11-19-12-9-15(16)17-19/h3-5,7-9,12H,2,6,10-11,13H2,1H3,(H2,16,17)
InChIKeyVNFMCBVVXMWJKB-UHFFFAOYSA-N
XLogP2.38
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[benzyl(propan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310407
3-[3-(3-aminopyrazol-1-yl)propyl-ethylamino]-2-methylpropanenitrile
CID 63310593
1-[3-[butyl(methyl)amino]propyl]pyrazol-3-amine
CID 63310307
1-[3-(N-ethyl-2-methylanilino)propyl]pyrazol-3-amine
CID 63310337
1-[3-(N,2-dimethylanilino)propyl]pyrazol-3-amine
CID 63310416
2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide
CID 62102852
2-[2-(3-aminopyrazol-1-yl)ethyl-butylamino]ethanol
CID 63316054
1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310706
1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine
CID 63318104
1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine
CID 175527652
1-[3-[ethyl(1-methoxypropan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310320
N-benzyl-N-ethyl-4-indol-1-ylbutan-1-amine
CID 141012625

Frequently Asked Questions

What is the IUPAC name of 1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine (CID 63310545) is 1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine is CCN(CCCn1ccc(N)n1)Cc1ccccc1.
What is the InChIKey of 1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine?
The InChIKey is VNFMCBVVXMWJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-2-18(13-14-7-4-3-5-8-14)10-6-11-19-12-9-15(16)17-19/h3-5,7-9,12H,2,6,10-11,13H2,1H3,(H2,16,17).
What are the key properties of 1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine?
1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine has a molecular weight of 258.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine is sourced from PubChem (CID 63310545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).