2,3-ditert-butylpyrazolo[1,5-a]pyrimidine

C14H21N3 — CID 71288912

IUPAC2,3-ditert-butylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1nn2cccnc2c1C(C)(C)C
InChIInChI=1S/C14H21N3/c1-13(2,3)10-11(14(4,5)6)16-17-9-7-8-15-12(10)17/h7-9H,1-6H3
InChIKeyGSNRZIHLYFPWPK-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.32
Rot. Bonds

About 2,3-ditert-butylpyrazolo[1,5-a]pyrimidine

2,3-ditert-butylpyrazolo[1,5-a]pyrimidine (PubChem CID 71288912) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,3-ditert-butylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,3-ditert-butylpyrazolo[1,5-a]pyrimidine
PubChem CID71288912
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2,3-ditert-butylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1nn2cccnc2c1C(C)(C)C
InChIInChI=1S/C14H21N3/c1-13(2,3)10-11(14(4,5)6)16-17-9-7-8-15-12(10)17/h7-9H,1-6H3
InChIKeyGSNRZIHLYFPWPK-UHFFFAOYSA-N
XLogP3.32
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-
CID 215186
Istisociclib
CID 146502834
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
2-Methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 1474430
2,3-dimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201365
2,3,6-Trimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201421
1-Benzyl-3-methyl-1H-pyrazolo[3,4-b]pyridine
CID 778693
2-Methyl-7-(4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 1472842
R-121920
CID 9951076
5-(Piperidin-3-yl)-3-(prop-1-enyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16046077
5-(Piperidin-3-yl)-3-(prop-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224560
8-Pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53321947

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,3-ditert-butylpyrazolo[1,5-a]pyrimidine (CID 71288912) is 2,3-ditert-butylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,3-ditert-butylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,3-ditert-butylpyrazolo[1,5-a]pyrimidine is CC(C)(C)c1nn2cccnc2c1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butylpyrazolo[1,5-a]pyrimidine?
The InChIKey is GSNRZIHLYFPWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-13(2,3)10-11(14(4,5)6)16-17-9-7-8-15-12(10)17/h7-9H,1-6H3.
What are the key properties of 2,3-ditert-butylpyrazolo[1,5-a]pyrimidine?
2,3-ditert-butylpyrazolo[1,5-a]pyrimidine has a molecular weight of 231.34 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 71288912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).