N-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H16N4O2 — CID 22333502

IUPACN-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3c(C)cc(C)nc23)cc1
InChIInChI=1S/C16H16N4O2/c1-10-8-11(2)20-15(18-10)14(9-17-20)16(21)19-12-4-6-13(22-3)7-5-12/h4-9H,1-3H3,(H,19,21)
InChIKeyNBPAPVYPBXBLKO-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.61
Rot. Bonds3

About N-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 22333502) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID22333502
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3c(C)cc(C)nc23)cc1
InChIInChI=1S/C16H16N4O2/c1-10-8-11(2)20-15(18-10)14(9-17-20)16(21)19-12-4-6-13(22-3)7-5-12/h4-9H,1-3H3,(H,19,21)
InChIKeyNBPAPVYPBXBLKO-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-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 22333502) is N-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(NC(=O)c2cnn3c(C)cc(C)nc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NBPAPVYPBXBLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-8-11(2)20-15(18-10)14(9-17-20)16(21)19-12-4-6-13(22-3)7-5-12/h4-9H,1-3H3,(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-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-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 22333502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).