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

C16H16N4O2 — CID 53179900

IUPACN-(2-methoxy-5-methylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(C)n2nccc2n1
InChIInChI=1S/C16H16N4O2/c1-10-4-5-14(22-3)12(8-10)19-16(21)13-9-11(2)20-15(18-13)6-7-17-20/h4-9H,1-3H3,(H,19,21)
InChIKeyZBKFZNJNIVTUJV-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.61
Rot. Bonds3

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

N-(2-methoxy-5-methylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53179900) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53179900
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(C)n2nccc2n1
InChIInChI=1S/C16H16N4O2/c1-10-4-5-14(22-3)12(8-10)19-16(21)13-9-11(2)20-15(18-13)6-7-17-20/h4-9H,1-3H3,(H,19,21)
InChIKeyZBKFZNJNIVTUJV-UHFFFAOYSA-N
XLogP2.61
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53179900) is N-(2-methoxy-5-methylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(C)n2nccc2n1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is ZBKFZNJNIVTUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-4-5-14(22-3)12(8-10)19-16(21)13-9-11(2)20-15(18-13)6-7-17-20/h4-9H,1-3H3,(H,19,21).
What are the key properties of N-(2-methoxy-5-methylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(2-methoxy-5-methylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53179900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).