2-tert-butyl-3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine

C12H16ClN3 — CID 617023

IUPAC2-tert-butyl-3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(C(C)(C)C)c(Cl)c2n1
InChIInChI=1S/C12H16ClN3/c1-7-6-8(2)16-11(14-7)9(13)10(15-16)12(3,4)5/h6H,1-5H3
InChIKeyQFABZAFGDRYBID-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.30
Rot. Bonds

About 2-tert-butyl-3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine

2-tert-butyl-3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 617023) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-tert-butyl-3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID617023
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name2-tert-butyl-3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(C(C)(C)C)c(Cl)c2n1
InChIInChI=1S/C12H16ClN3/c1-7-6-8(2)16-11(14-7)9(13)10(15-16)12(3,4)5/h6H,1-5H3
InChIKeyQFABZAFGDRYBID-UHFFFAOYSA-N
XLogP3.30
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5,7-Trimethylpyrazolo[1,5-a]pyrimidine
CID 3611062
2,5-Di-tert-butylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2060523
2,5-dimethyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine
CID 1477871
5-Tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 974687
2-Chloro-5,7-dimethylpyrazolo [1,5-a]pyrimidine
CID 19380134
3-chloro-2,5-dimethyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine
CID 1477880
7-(Tert-butyl)-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-2,4-diimine
CID 2801306
5-Methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821597
2-(Cyanomethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 230936
2-(Tert-butyl)-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821672
3-Bromo-2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2819672
2,5,6,7-Tetramethylpyrazolo[1,5-a]pyrimidine
CID 763536

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-tert-butyl-3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine (CID 617023) is 2-tert-butyl-3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-tert-butyl-3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-tert-butyl-3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(C(C)(C)C)c(Cl)c2n1.
What is the InChIKey of 2-tert-butyl-3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is QFABZAFGDRYBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-7-6-8(2)16-11(14-7)9(13)10(15-16)12(3,4)5/h6H,1-5H3.
What are the key properties of 2-tert-butyl-3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
2-tert-butyl-3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 237.73 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 617023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).