4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine

C13H19N5S — CID 83010094

IUPAC4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine
SMILESCN1CCN(NCc2cn[nH]c2-c2cccs2)CC1
InChIInChI=1S/C13H19N5S/c1-17-4-6-18(7-5-17)15-10-11-9-14-16-13(11)12-3-2-8-19-12/h2-3,8-9,15H,4-7,10H2,1H3,(H,14,16)
InChIKeyJHRJAIWWGXBKGG-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.39
Rot. Bonds4

About 4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine

4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine (PubChem CID 83010094) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine
PubChem CID83010094
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine
SMILESCN1CCN(NCc2cn[nH]c2-c2cccs2)CC1
InChIInChI=1S/C13H19N5S/c1-17-4-6-18(7-5-17)15-10-11-9-14-16-13(11)12-3-2-8-19-12/h2-3,8-9,15H,4-7,10H2,1H3,(H,14,16)
InChIKeyJHRJAIWWGXBKGG-UHFFFAOYSA-N
XLogP1.39
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine?
The IUPAC name of 4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine (CID 83010094) is 4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine?
The canonical SMILES for 4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine is CN1CCN(NCc2cn[nH]c2-c2cccs2)CC1.
What is the InChIKey of 4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine?
The InChIKey is JHRJAIWWGXBKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-17-4-6-18(7-5-17)15-10-11-9-14-16-13(11)12-3-2-8-19-12/h2-3,8-9,15H,4-7,10H2,1H3,(H,14,16).
What are the key properties of 4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine?
4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine has a molecular weight of 277.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine is sourced from PubChem (CID 83010094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).