5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane

C13H21N3 — CID 144569738

IUPAC5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane
SMILESCC.Cc1cc(C)n2nc(C(C)C)cc2n1
InChIInChI=1S/C11H15N3.C2H6/c1-7(2)10-6-11-12-8(3)5-9(4)14(11)13-10;1-2/h5-7H,1-4H3;1-2H3
InChIKeyJXGWCSKVNJMKHS-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.50
Rot. Bonds1

About 5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane

5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane (PubChem CID 144569738) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane.

Molecular Properties

Compound Name5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane
PubChem CID144569738
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane
SMILESCC.Cc1cc(C)n2nc(C(C)C)cc2n1
InChIInChI=1S/C11H15N3.C2H6/c1-7(2)10-6-11-12-8(3)5-9(4)14(11)13-10;1-2/h5-7H,1-4H3;1-2H3
InChIKeyJXGWCSKVNJMKHS-UHFFFAOYSA-N
XLogP3.50
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 117246795
2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 2818883
ethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole
CID 169218141
7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 104621661
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid
CID 84724471
5,7-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 37019076
2-(7-chloro-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271650
1,5-dimethyl-3-propan-2-ylpyrazole
CID 10796815
5-methyl-1-(2-methylpropyl)-3-propan-2-ylpyrazole
CID 178050223
5,7-dimethyl-2-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 12915233
5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 104621648
ethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 168939363

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane?
The IUPAC name of 5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane (CID 144569738) is 5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane.
What is the SMILES notation for 5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane?
The canonical SMILES for 5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane is CC.Cc1cc(C)n2nc(C(C)C)cc2n1.
What is the InChIKey of 5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane?
The InChIKey is JXGWCSKVNJMKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.C2H6/c1-7(2)10-6-11-12-8(3)5-9(4)14(11)13-10;1-2/h5-7H,1-4H3;1-2H3.
What are the key properties of 5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane?
5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane has a molecular weight of 219.33 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane is sourced from PubChem (CID 144569738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).