2-(Tert-butyl)-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C12H13ClF3N3 — CID 2821672

IUPAC2-tert-butyl-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCC1=CC(=NC2=C(C(=NN12)C(C)(C)C)Cl)C(F)(F)F
InChIInChI=1S/C12H13ClF3N3/c1-6-5-7(12(14,15)16)17-10-8(13)9(11(2,3)4)18-19(6)10/h5H,1-4H3
InChIKeyPWZCIYGPEDOXIC-UHFFFAOYSA-N
MW291.70 g/mol
LogP4.00
Rot. Bonds1

About 2-(Tert-butyl)-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

2-(Tert-butyl)-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2821672) has the molecular formula C12H13ClF3N3 and a molecular weight of 291.70 g/mol. Its IUPAC name is 2-tert-butyl-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(Tert-butyl)-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID2821672
Molecular FormulaC12H13ClF3N3
Molecular Weight291.70 g/mol
Exact Mass291.08
IUPAC Name2-tert-butyl-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCC1=CC(=NC2=C(C(=NN12)C(C)(C)C)Cl)C(F)(F)F
InChIInChI=1S/C12H13ClF3N3/c1-6-5-7(12(14,15)16)17-10-8(13)9(11(2,3)4)18-19(6)10/h5H,1-4H3
InChIKeyPWZCIYGPEDOXIC-UHFFFAOYSA-N
XLogP4.00
TPSA30.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity342

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 754722
2,5-Di-tert-butylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2060523
5-Tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 974687
2-Chloro-5,7-dimethylpyrazolo [1,5-a]pyrimidine
CID 19380134
7-(Tert-butyl)-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-2,4-diimine
CID 2801306
2,5-Dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 753093
5-Methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821597
3-Bromo-2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2819672
2-Ethyl-3,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 4568581
5-Tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2971734
2-(Tert-butyl)-7-hydrazino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2780660
2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 2821857

Frequently Asked Questions

What is the IUPAC name of 2-(Tert-butyl)-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(Tert-butyl)-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 2821672) is 2-tert-butyl-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(Tert-butyl)-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(Tert-butyl)-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is CC1=CC(=NC2=C(C(=NN12)C(C)(C)C)Cl)C(F)(F)F.
What is the InChIKey of 2-(Tert-butyl)-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is PWZCIYGPEDOXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3/c1-6-5-7(12(14,15)16)17-10-8(13)9(11(2,3)4)18-19(6)10/h5H,1-4H3.
What are the key properties of 2-(Tert-butyl)-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-(Tert-butyl)-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 291.70 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Tert-butyl)-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2821672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).