N-(2-methoxy-5-methyl-4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H18N4O2 — CID 66664587

IUPACN-(2-methoxy-5-methyl-4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(-c2ccccc2)c(C)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C21H18N4O2/c1-14-11-18(19(27-2)12-16(14)15-7-4-3-5-8-15)24-21(26)17-13-23-25-10-6-9-22-20(17)25/h3-13H,1-2H3,(H,24,26)
InChIKeyKNERUIHZWUWHGF-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.97
Rot. Bonds4

About N-(2-methoxy-5-methyl-4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-methoxy-5-methyl-4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66664587) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(2-methoxy-5-methyl-4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methyl-4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66664587
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-(2-methoxy-5-methyl-4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(-c2ccccc2)c(C)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C21H18N4O2/c1-14-11-18(19(27-2)12-16(14)15-7-4-3-5-8-15)24-21(26)17-13-23-25-10-6-9-22-20(17)25/h3-13H,1-2H3,(H,24,26)
InChIKeyKNERUIHZWUWHGF-UHFFFAOYSA-N
XLogP3.97
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.97
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-methyl-4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-methyl-4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66664587) is N-(2-methoxy-5-methyl-4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methyl-4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methyl-4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(-c2ccccc2)c(C)cc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-(2-methoxy-5-methyl-4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KNERUIHZWUWHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-11-18(19(27-2)12-16(14)15-7-4-3-5-8-15)24-21(26)17-13-23-25-10-6-9-22-20(17)25/h3-13H,1-2H3,(H,24,26).
What are the key properties of N-(2-methoxy-5-methyl-4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-methoxy-5-methyl-4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methyl-4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66664587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).