2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine

C15H22N4S — CID 120843259

IUPAC2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine
SMILESCC1NCCN(Cc2ccc(-c3cnn(C)c3)s2)C1C
InChIInChI=1S/C15H22N4S/c1-11-12(2)19(7-6-16-11)10-14-4-5-15(20-14)13-8-17-18(3)9-13/h4-5,8-9,11-12,16H,6-7,10H2,1-3H3
InChIKeyUBOARPAXPDYEPR-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.33
Rot. Bonds3

About 2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine

2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine (PubChem CID 120843259) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine.

Molecular Properties

Compound Name2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine
PubChem CID120843259
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine
SMILESCC1NCCN(Cc2ccc(-c3cnn(C)c3)s2)C1C
InChIInChI=1S/C15H22N4S/c1-11-12(2)19(7-6-16-11)10-14-4-5-15(20-14)13-8-17-18(3)9-13/h4-5,8-9,11-12,16H,6-7,10H2,1-3H3
InChIKeyUBOARPAXPDYEPR-UHFFFAOYSA-N
XLogP2.33
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine
CID 120837052
1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride
CID 120833629
(3S)-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-amine
CID 120836296
1-[1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]piperazine
CID 120967450
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
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
5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
CID 120967134
1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 122041089
5-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]-2H-triazol-4-amine
CID 170148129

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine?
The IUPAC name of 2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine (CID 120843259) is 2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine.
What is the SMILES notation for 2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine?
The canonical SMILES for 2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine is CC1NCCN(Cc2ccc(-c3cnn(C)c3)s2)C1C.
What is the InChIKey of 2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine?
The InChIKey is UBOARPAXPDYEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-11-12(2)19(7-6-16-11)10-14-4-5-15(20-14)13-8-17-18(3)9-13/h4-5,8-9,11-12,16H,6-7,10H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine?
2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine has a molecular weight of 290.44 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine is sourced from PubChem (CID 120843259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).