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

C16H24N4O — CID 24717009

IUPAC2-tert-butyl-N,N-diethyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)n2nc(C(C)(C)C)cc2n1
InChIInChI=1S/C16H24N4O/c1-7-19(8-2)15(21)12-9-11(3)20-14(17-12)10-13(18-20)16(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyQAAFDCBQBHSVRM-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.82
Rot. Bonds3

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

2-tert-butyl-N,N-diethyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 24717009) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-tert-butyl-N,N-diethyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N,N-diethyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID24717009
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name2-tert-butyl-N,N-diethyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)n2nc(C(C)(C)C)cc2n1
InChIInChI=1S/C16H24N4O/c1-7-19(8-2)15(21)12-9-11(3)20-14(17-12)10-13(18-20)16(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyQAAFDCBQBHSVRM-UHFFFAOYSA-N
XLogP2.82
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,N-diethyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N,N-diethyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 24717009) is 2-tert-butyl-N,N-diethyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N,N-diethyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N,N-diethyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CCN(CC)C(=O)c1cc(C)n2nc(C(C)(C)C)cc2n1.
What is the InChIKey of 2-tert-butyl-N,N-diethyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is QAAFDCBQBHSVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-7-19(8-2)15(21)12-9-11(3)20-14(17-12)10-13(18-20)16(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 2-tert-butyl-N,N-diethyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
2-tert-butyl-N,N-diethyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 288.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,N-diethyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 24717009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).