7-tert-butyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C19H22N4O2 — CID 53040925

IUPAC7-tert-butyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(C(C)(C)C)n2nccc2n1
InChIInChI=1S/C19H22N4O2/c1-12-6-7-15(25-5)13(10-12)22-18(24)14-11-16(19(2,3)4)23-17(21-14)8-9-20-23/h6-11H,1-5H3,(H,22,24)
InChIKeyCRBRRLVJIVOSNE-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.60
Rot. Bonds3

About 7-tert-butyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

7-tert-butyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040925) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 7-tert-butyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-tert-butyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040925
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name7-tert-butyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(C(C)(C)C)n2nccc2n1
InChIInChI=1S/C19H22N4O2/c1-12-6-7-15(25-5)13(10-12)22-18(24)14-11-16(19(2,3)4)23-17(21-14)8-9-20-23/h6-11H,1-5H3,(H,22,24)
InChIKeyCRBRRLVJIVOSNE-UHFFFAOYSA-N
XLogP3.60
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-tert-butyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040925) is 7-tert-butyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-tert-butyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-tert-butyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(C(C)(C)C)n2nccc2n1.
What is the InChIKey of 7-tert-butyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is CRBRRLVJIVOSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-6-7-15(25-5)13(10-12)22-18(24)14-11-16(19(2,3)4)23-17(21-14)8-9-20-23/h6-11H,1-5H3,(H,22,24).
What are the key properties of 7-tert-butyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-tert-butyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).