1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole

C15H18N4S — CID 116621627

IUPAC1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole
SMILESCCc1cc(Cn2ccnc2-c2cccs2)n(CC)n1
InChIInChI=1S/C15H18N4S/c1-3-12-10-13(19(4-2)17-12)11-18-8-7-16-15(18)14-6-5-9-20-14/h5-10H,3-4,11H2,1-2H3
InChIKeyTXVQLJCVWSTIBX-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.44
Rot. Bonds5

About 1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole

1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole (PubChem CID 116621627) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole
PubChem CID116621627
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole
SMILESCCc1cc(Cn2ccnc2-c2cccs2)n(CC)n1
InChIInChI=1S/C15H18N4S/c1-3-12-10-13(19(4-2)17-12)11-18-8-7-16-15(18)14-6-5-9-20-14/h5-10H,3-4,11H2,1-2H3
InChIKeyTXVQLJCVWSTIBX-UHFFFAOYSA-N
XLogP3.44
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
2,3-Dimethyl-6-thiophen-2-ylimidazo[1,2-b][1,2,4]triazine
CID 615484
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250350
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53250503
N,N-dimethyl-N'-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide
CID 6279969
3-(Pyrrolidin-1-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrimidine
CID 122183046
2-Phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
CID 127035004
2-Phenyl-5-(thiophen-2-ylmethyl)pyrazolo[4,3-d]pyrimidin-7-amine
CID 127037440
8-Propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 11771684
US9096589, 5-Methyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250193
US9096589, 8-Methyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250194
5,7-Dimethyl-2-[(E)-2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-vinyl]imidazo[1,2-a]pyrimidine
CID 53251307

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole?
The IUPAC name of 1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole (CID 116621627) is 1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole.
What is the SMILES notation for 1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole?
The canonical SMILES for 1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole is CCc1cc(Cn2ccnc2-c2cccs2)n(CC)n1.
What is the InChIKey of 1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole?
The InChIKey is TXVQLJCVWSTIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-3-12-10-13(19(4-2)17-12)11-18-8-7-16-15(18)14-6-5-9-20-14/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole?
1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole has a molecular weight of 286.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 116621627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).