3-ethyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C12H15N3S — CID 136841199

IUPAC3-ethyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c1NCCC2c1cccs1
InChIInChI=1S/C12H15N3S/c1-2-9-8-14-15-10(5-6-13-12(9)15)11-4-3-7-16-11/h3-4,7-8,10,13H,2,5-6H2,1H3
InChIKeyDAKWDQHDDVTWNT-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.91
Rot. Bonds2

About 3-ethyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

3-ethyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841199) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-ethyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-ethyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841199
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name3-ethyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c1NCCC2c1cccs1
InChIInChI=1S/C12H15N3S/c1-2-9-8-14-15-10(5-6-13-12(9)15)11-4-3-7-16-11/h3-4,7-8,10,13H,2,5-6H2,1H3
InChIKeyDAKWDQHDDVTWNT-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841205
7-(4-tert-butylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841201
3-ethyl-7-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841203
7-[4-(difluoromethoxy)phenyl]-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841180
7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136840344
ethyl 7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 136933776
9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 136841410
(7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol
CID 136837739
2-(4-methylphenyl)-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709447
2-cyclobutyl-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840532
2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841108
2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839760

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-ethyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841199) is 3-ethyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-ethyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-ethyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCc1cnn2c1NCCC2c1cccs1.
What is the InChIKey of 3-ethyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is DAKWDQHDDVTWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-9-8-14-15-10(5-6-13-12(9)15)11-4-3-7-16-11/h3-4,7-8,10,13H,2,5-6H2,1H3.
What are the key properties of 3-ethyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
3-ethyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 233.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).