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

C15H19N3 — CID 137011898

IUPAC7-(3,5-dimethylphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)cc(C2CCNc3c(C)cnn32)c1
InChIInChI=1S/C15H19N3/c1-10-6-11(2)8-13(7-10)14-4-5-16-15-12(3)9-17-18(14)15/h6-9,14,16H,4-5H2,1-3H3
InChIKeyXSHBTYMEWLRLFG-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.21
Rot. Bonds1

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

7-(3,5-dimethylphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 137011898) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 7-(3,5-dimethylphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,5-dimethylphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID137011898
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name7-(3,5-dimethylphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)cc(C2CCNc3c(C)cnn32)c1
InChIInChI=1S/C15H19N3/c1-10-6-11(2)8-13(7-10)14-4-5-16-15-12(3)9-17-18(14)15/h6-9,14,16H,4-5H2,1-3H3
InChIKeyXSHBTYMEWLRLFG-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,5-dimethylphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 137011898) is 7-(3,5-dimethylphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,5-dimethylphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,5-dimethylphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1cc(C)cc(C2CCNc3c(C)cnn32)c1.
What is the InChIKey of 7-(3,5-dimethylphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is XSHBTYMEWLRLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10-6-11(2)8-13(7-10)14-4-5-16-15-12(3)9-17-18(14)15/h6-9,14,16H,4-5H2,1-3H3.
What are the key properties of 7-(3,5-dimethylphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(3,5-dimethylphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 241.34 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 137011898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).