2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine

C14H20N4S — CID 120837052

IUPAC2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine
SMILESCC1CNCCN1Cc1ccc(-c2cnn(C)c2)s1
InChIInChI=1S/C14H20N4S/c1-11-7-15-5-6-18(11)10-13-3-4-14(19-13)12-8-16-17(2)9-12/h3-4,8-9,11,15H,5-7,10H2,1-2H3
InChIKeyCKQMRZZKBHBIOX-UHFFFAOYSA-N
MW276.41 g/mol
LogP1.94
Rot. Bonds3

About 2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine

2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine (PubChem CID 120837052) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine.

Molecular Properties

Compound Name2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine
PubChem CID120837052
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine
SMILESCC1CNCCN1Cc1ccc(-c2cnn(C)c2)s1
InChIInChI=1S/C14H20N4S/c1-11-7-15-5-6-18(11)10-13-3-4-14(19-13)12-8-16-17(2)9-12/h3-4,8-9,11,15H,5-7,10H2,1-2H3
InChIKeyCKQMRZZKBHBIOX-UHFFFAOYSA-N
XLogP1.94
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine
CID 120843259
1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride
CID 120833629
1-[1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]piperazine
CID 120967450
2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole
CID 82713356
(3S)-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-amine
CID 120836296
N-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine
CID 120835285
[1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837708
(2R)-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 104869459
N-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride
CID 120837932
1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazine 4,4-dioxide
CID 128704486
N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine
CID 79778925
(2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine
CID 130591920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine?
The IUPAC name of 2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine (CID 120837052) is 2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine.
What is the SMILES notation for 2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine?
The canonical SMILES for 2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine is CC1CNCCN1Cc1ccc(-c2cnn(C)c2)s1.
What is the InChIKey of 2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine?
The InChIKey is CKQMRZZKBHBIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-11-7-15-5-6-18(11)10-13-3-4-14(19-13)12-8-16-17(2)9-12/h3-4,8-9,11,15H,5-7,10H2,1-2H3.
What are the key properties of 2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine?
2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine has a molecular weight of 276.41 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine is sourced from PubChem (CID 120837052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).