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

C16H21N3 — CID 136838903

IUPAC7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cc2n(n1)C(c1cc(C)cc(C)c1)CCN2
InChIInChI=1S/C16H21N3/c1-4-14-10-16-17-6-5-15(19(16)18-14)13-8-11(2)7-12(3)9-13/h7-10,15,17H,4-6H2,1-3H3
InChIKeyNWLCKHKEWJFTBF-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.47
Rot. Bonds2

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

7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838903) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838903
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cc2n(n1)C(c1cc(C)cc(C)c1)CCN2
InChIInChI=1S/C16H21N3/c1-4-14-10-16-17-6-5-15(19(16)18-14)13-8-11(2)7-12(3)9-13/h7-10,15,17H,4-6H2,1-3H3
InChIKeyNWLCKHKEWJFTBF-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.47
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)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838903) is 7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCc1cc2n(n1)C(c1cc(C)cc(C)c1)CCN2.
What is the InChIKey of 7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is NWLCKHKEWJFTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-14-10-16-17-6-5-15(19(16)18-14)13-8-11(2)7-12(3)9-13/h7-10,15,17H,4-6H2,1-3H3.
What are the key properties of 7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 255.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).