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

C12H15N3S — CID 136839244

IUPAC6-methyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1ccsc1-c1cc2n(n1)CC(C)CN2
InChIInChI=1S/C12H15N3S/c1-8-6-13-11-5-10(14-15(11)7-8)12-9(2)3-4-16-12/h3-5,8,13H,6-7H2,1-2H3
InChIKeyKBYDUXKRMZMUMC-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.98
Rot. Bonds1

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

6-methyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136839244) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 6-methyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-methyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136839244
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name6-methyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1ccsc1-c1cc2n(n1)CC(C)CN2
InChIInChI=1S/C12H15N3S/c1-8-6-13-11-5-10(14-15(11)7-8)12-9(2)3-4-16-12/h3-5,8,13H,6-7H2,1-2H3
InChIKeyKBYDUXKRMZMUMC-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-methyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136839244) is 6-methyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-methyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-methyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1ccsc1-c1cc2n(n1)CC(C)CN2.
What is the InChIKey of 6-methyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is KBYDUXKRMZMUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8-6-13-11-5-10(14-15(11)7-8)12-9(2)3-4-16-12/h3-5,8,13H,6-7H2,1-2H3.
What are the key properties of 6-methyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
6-methyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 233.34 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136839244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).