2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C11H13N3S — CID 136839272

IUPAC2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1ccsc1-c1cc2n(n1)CCCN2
InChIInChI=1S/C11H13N3S/c1-8-3-6-15-11(8)9-7-10-12-4-2-5-14(10)13-9/h3,6-7,12H,2,4-5H2,1H3
InChIKeyQZMNHFMMJAHTMD-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.74
Rot. Bonds1

About 2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136839272) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136839272
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1ccsc1-c1cc2n(n1)CCCN2
InChIInChI=1S/C11H13N3S/c1-8-3-6-15-11(8)9-7-10-12-4-2-5-14(10)13-9/h3,6-7,12H,2,4-5H2,1H3
InChIKeyQZMNHFMMJAHTMD-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136839272) is 2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1ccsc1-c1cc2n(n1)CCCN2.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is QZMNHFMMJAHTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8-3-6-15-11(8)9-7-10-12-4-2-5-14(10)13-9/h3,6-7,12H,2,4-5H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 219.31 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136839272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).