5-(2,2-dimethylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine

C12H17N3 — CID 121286564

IUPAC5-(2,2-dimethylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(CC(C)(C)C)nc2ccnn12
InChIInChI=1S/C12H17N3/c1-9-7-10(8-12(2,3)4)14-11-5-6-13-15(9)11/h5-7H,8H2,1-4H3
InChIKeyGJFAJYLFWHWLCD-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.63
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine

5-(2,2-dimethylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 121286564) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine
PubChem CID121286564
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name5-(2,2-dimethylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(CC(C)(C)C)nc2ccnn12
InChIInChI=1S/C12H17N3/c1-9-7-10(8-12(2,3)4)14-11-5-6-13-15(9)11/h5-7H,8H2,1-4H3
InChIKeyGJFAJYLFWHWLCD-UHFFFAOYSA-N
XLogP2.63
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 71200006
ethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 143439241
5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine
CID 89230863
5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 83697760
[2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridin-5-yl]methanamine
CID 117132888
(3aS,6aR)-5-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbaldehyde
CID 175902895
7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine
CID 170418200
5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 21035728
7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 89365677
5-ethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890779
1-[4-(7-methylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperazin-1-yl]ethanone
CID 110850426
1-(4-tert-butylphenyl)-2-[7-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207043

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(2,2-dimethylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine (CID 121286564) is 5-(2,2-dimethylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine is Cc1cc(CC(C)(C)C)nc2ccnn12.
What is the InChIKey of 5-(2,2-dimethylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is GJFAJYLFWHWLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9-7-10(8-12(2,3)4)14-11-5-6-13-15(9)11/h5-7H,8H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine?
5-(2,2-dimethylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 203.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 121286564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).