3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine

C13H18N4S — CID 120840166

IUPAC3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine
SMILESCC1CN(Cc2cn[nH]c2-c2ccsc2)CCN1
InChIInChI=1S/C13H18N4S/c1-10-7-17(4-3-14-10)8-12-6-15-16-13(12)11-2-5-18-9-11/h2,5-6,9-10,14H,3-4,7-8H2,1H3,(H,15,16)
InChIKeyFZIGRFPYZQANHB-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.93
Rot. Bonds3

About 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine

3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine (PubChem CID 120840166) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine
PubChem CID120840166
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine
SMILESCC1CN(Cc2cn[nH]c2-c2ccsc2)CCN1
InChIInChI=1S/C13H18N4S/c1-10-7-17(4-3-14-10)8-12-6-15-16-13(12)11-2-5-18-9-11/h2,5-6,9-10,14H,3-4,7-8H2,1H3,(H,15,16)
InChIKeyFZIGRFPYZQANHB-UHFFFAOYSA-N
XLogP1.93
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine?
The IUPAC name of 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine (CID 120840166) is 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine is CC1CN(Cc2cn[nH]c2-c2ccsc2)CCN1.
What is the InChIKey of 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine?
The InChIKey is FZIGRFPYZQANHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-10-7-17(4-3-14-10)8-12-6-15-16-13(12)11-2-5-18-9-11/h2,5-6,9-10,14H,3-4,7-8H2,1H3,(H,15,16).
What are the key properties of 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine?
3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine has a molecular weight of 262.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 120840166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).