2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole

C12H12N4S — CID 164547270

IUPAC2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole
SMILESCc1cnn2cc(-c3cnn4c3CCC4)sc12
InChIInChI=1S/C12H12N4S/c1-8-5-13-16-7-11(17-12(8)16)9-6-14-15-4-2-3-10(9)15/h5-7H,2-4H2,1H3
InChIKeyQFLHLGCCECZGFY-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.51
Rot. Bonds1

About 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole

2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole (PubChem CID 164547270) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole
PubChem CID164547270
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole
SMILESCc1cnn2cc(-c3cnn4c3CCC4)sc12
InChIInChI=1S/C12H12N4S/c1-8-5-13-16-7-11(17-12(8)16)9-6-14-15-4-2-3-10(9)15/h5-7H,2-4H2,1H3
InChIKeyQFLHLGCCECZGFY-UHFFFAOYSA-N
XLogP2.51
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole
CID 167138730
ethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 142324749
2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[2-methyl-5-[2-(propan-2-ylamino)ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 170635889
3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 14145814
N-[5-[2-(cyclobutylamino)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547146
N-[5-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 170636046
ethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
CID 145221540
2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 175759599
N-[13-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-9-oxo-12-thia-3,8,15,16-tetrazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2(7),3,5,10,13-hexaen-5-yl]-2-(propylamino)acetamide
CID 164547638
3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 71531121
4-methyl-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine
CID 89493420
3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 71531119

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole?
The IUPAC name of 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole (CID 164547270) is 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole.
What is the SMILES notation for 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole?
The canonical SMILES for 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole is Cc1cnn2cc(-c3cnn4c3CCC4)sc12.
What is the InChIKey of 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole?
The InChIKey is QFLHLGCCECZGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-8-5-13-16-7-11(17-12(8)16)9-6-14-15-4-2-3-10(9)15/h5-7H,2-4H2,1H3.
What are the key properties of 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole?
2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole has a molecular weight of 244.32 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-7-methylpyrazolo[5,1-b][1,3]thiazole is sourced from PubChem (CID 164547270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).