1-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)piperazine

C12H16N4S — CID 63042706

IUPAC1-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)piperazine
SMILESCc1c(N2CCNCC2)n[nH]c1-c1cccs1
InChIInChI=1S/C12H16N4S/c1-9-11(10-3-2-8-17-10)14-15-12(9)16-6-4-13-5-7-16/h2-3,8,13H,4-7H2,1H3,(H,14,15)
InChIKeyNZSBVZDWUFAMHX-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.86
Rot. Bonds2

About 1-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)piperazine

1-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)piperazine (PubChem CID 63042706) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)piperazine.

Molecular Properties

Compound Name1-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)piperazine
PubChem CID63042706
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name1-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)piperazine
SMILESCc1c(N2CCNCC2)n[nH]c1-c1cccs1
InChIInChI=1S/C12H16N4S/c1-9-11(10-3-2-8-17-10)14-15-12(9)16-6-4-13-5-7-16/h2-3,8,13H,4-7H2,1H3,(H,14,15)
InChIKeyNZSBVZDWUFAMHX-UHFFFAOYSA-N
XLogP1.86
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)piperazine?
The IUPAC name of 1-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)piperazine (CID 63042706) is 1-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)piperazine.
What is the SMILES notation for 1-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)piperazine?
The canonical SMILES for 1-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)piperazine is Cc1c(N2CCNCC2)n[nH]c1-c1cccs1.
What is the InChIKey of 1-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)piperazine?
The InChIKey is NZSBVZDWUFAMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9-11(10-3-2-8-17-10)14-15-12(9)16-6-4-13-5-7-16/h2-3,8,13H,4-7H2,1H3,(H,14,15).
What are the key properties of 1-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)piperazine?
1-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)piperazine has a molecular weight of 248.35 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)piperazine is sourced from PubChem (CID 63042706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).