3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine

C14H27N5 — CID 106756945

IUPAC3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCC(NCCCN1CCN(C)CC1)c1ccnn1C
InChIInChI=1S/C14H27N5/c1-13(14-5-7-16-18(14)3)15-6-4-8-19-11-9-17(2)10-12-19/h5,7,13,15H,4,6,8-12H2,1-3H3
InChIKeyJOUVDLVZYLVVCE-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.71
Rot. Bonds6

About 3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine

3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 106756945) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID106756945
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCC(NCCCN1CCN(C)CC1)c1ccnn1C
InChIInChI=1S/C14H27N5/c1-13(14-5-7-16-18(14)3)15-6-4-8-19-11-9-17(2)10-12-19/h5,7,13,15H,4,6,8-12H2,1-3H3
InChIKeyJOUVDLVZYLVVCE-UHFFFAOYSA-N
XLogP0.71
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106756979
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106758148
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide
CID 107093548
4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106757998
4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide
CID 106757536
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 106757757
3-(4-methylpiperazin-1-yl)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 43106395
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996
N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 106757769
(E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine
CID 106758084

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (CID 106756945) is 3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is CC(NCCCN1CCN(C)CC1)c1ccnn1C.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is JOUVDLVZYLVVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-13(14-5-7-16-18(14)3)15-6-4-8-19-11-9-17(2)10-12-19/h5,7,13,15H,4,6,8-12H2,1-3H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106756945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).