1-[3-(N-ethyl-2-methylanilino)propyl]pyrazol-3-amine

C15H22N4 — CID 63310337

IUPAC1-[3-(N-ethyl-2-methylanilino)propyl]pyrazol-3-amine
SMILESCCN(CCCn1ccc(N)n1)c1ccccc1C
InChIInChI=1S/C15H22N4/c1-3-18(14-8-5-4-7-13(14)2)10-6-11-19-12-9-15(16)17-19/h4-5,7-9,12H,3,6,10-11H2,1-2H3,(H2,16,17)
InChIKeySYDXBJHWGGKPSZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.69
Rot. Bonds6

About 1-[3-(N-ethyl-2-methylanilino)propyl]pyrazol-3-amine

1-[3-(N-ethyl-2-methylanilino)propyl]pyrazol-3-amine (PubChem CID 63310337) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[3-(N-ethyl-2-methylanilino)propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-(N-ethyl-2-methylanilino)propyl]pyrazol-3-amine
PubChem CID63310337
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-[3-(N-ethyl-2-methylanilino)propyl]pyrazol-3-amine
SMILESCCN(CCCn1ccc(N)n1)c1ccccc1C
InChIInChI=1S/C15H22N4/c1-3-18(14-8-5-4-7-13(14)2)10-6-11-19-12-9-15(16)17-19/h4-5,7-9,12H,3,6,10-11H2,1-2H3,(H2,16,17)
InChIKeySYDXBJHWGGKPSZ-UHFFFAOYSA-N
XLogP2.69
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(N,2-dimethylanilino)propyl]pyrazol-3-amine
CID 63310416
1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine
CID 63310545
1-[3-[butyl(methyl)amino]propyl]pyrazol-3-amine
CID 63310307
N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine
CID 63503025
1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310706
1-[3-[benzyl(propan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310407
1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine
CID 63318104
1-[3-[ethyl(1-methoxypropan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310320
N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 61386867
1-(3-ethylsulfonylpropyl)pyrazol-3-amine
CID 65093119
1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine
CID 63318061
N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine
CID 43098055

Frequently Asked Questions

What is the IUPAC name of 1-[3-(N-ethyl-2-methylanilino)propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-(N-ethyl-2-methylanilino)propyl]pyrazol-3-amine (CID 63310337) is 1-[3-(N-ethyl-2-methylanilino)propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-(N-ethyl-2-methylanilino)propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-(N-ethyl-2-methylanilino)propyl]pyrazol-3-amine is CCN(CCCn1ccc(N)n1)c1ccccc1C.
What is the InChIKey of 1-[3-(N-ethyl-2-methylanilino)propyl]pyrazol-3-amine?
The InChIKey is SYDXBJHWGGKPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-18(14-8-5-4-7-13(14)2)10-6-11-19-12-9-15(16)17-19/h4-5,7-9,12H,3,6,10-11H2,1-2H3,(H2,16,17).
What are the key properties of 1-[3-(N-ethyl-2-methylanilino)propyl]pyrazol-3-amine?
1-[3-(N-ethyl-2-methylanilino)propyl]pyrazol-3-amine has a molecular weight of 258.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(N-ethyl-2-methylanilino)propyl]pyrazol-3-amine is sourced from PubChem (CID 63310337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).