N-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide

C12H16N4O — CID 84580925

IUPACN-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc2nccc(C(=O)NC(C)(C)C)n2n1
InChIInChI=1S/C12H16N4O/c1-8-7-10-13-6-5-9(16(10)15-8)11(17)14-12(2,3)4/h5-7H,1-4H3,(H,14,17)
InChIKeyCMBQLVCHJRYTRY-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.57
Rot. Bonds1

About N-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide

N-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 84580925) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID84580925
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc2nccc(C(=O)NC(C)(C)C)n2n1
InChIInChI=1S/C12H16N4O/c1-8-7-10-13-6-5-9(16(10)15-8)11(17)14-12(2,3)4/h5-7H,1-4H3,(H,14,17)
InChIKeyCMBQLVCHJRYTRY-UHFFFAOYSA-N
XLogP1.57
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575460
2-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84576023
N-(2,5-difluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575701
N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575522
2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575518
N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575392
N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685975
3,4-dihydro-1H-isoquinolin-2-yl-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
CID 84575628
7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine
CID 133056357
1-methyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)indole-2-carboxamide
CID 167762153
pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 125456084
1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-3-[1-(5-methylthiophen-2-yl)ethyl]urea
CID 138026080

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 84580925) is N-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide is Cc1cc2nccc(C(=O)NC(C)(C)C)n2n1.
What is the InChIKey of N-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is CMBQLVCHJRYTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-7-10-13-6-5-9(16(10)15-8)11(17)14-12(2,3)4/h5-7H,1-4H3,(H,14,17).
What are the key properties of N-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 84580925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).