N-[(2,4-dimethoxyphenyl)methyl]-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H24N4O3 — CID 53109677

IUPACN-[(2,4-dimethoxyphenyl)methyl]-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn3c(-c4ccc(C)c(C)c4)ccnc23)c(OC)c1
InChIInChI=1S/C24H24N4O3/c1-15-5-6-17(11-16(15)2)21-9-10-25-23-20(14-27-28(21)23)24(29)26-13-18-7-8-19(30-3)12-22(18)31-4/h5-12,14H,13H2,1-4H3,(H,26,29)
InChIKeyNYFVFSXVAGLJHG-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.96
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 53109677) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID53109677
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn3c(-c4ccc(C)c(C)c4)ccnc23)c(OC)c1
InChIInChI=1S/C24H24N4O3/c1-15-5-6-17(11-16(15)2)21-9-10-25-23-20(14-27-28(21)23)24(29)26-13-18-7-8-19(30-3)12-22(18)31-4/h5-12,14H,13H2,1-4H3,(H,26,29)
InChIKeyNYFVFSXVAGLJHG-UHFFFAOYSA-N
XLogP3.96
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 53109677) is N-[(2,4-dimethoxyphenyl)methyl]-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(CNC(=O)c2cnn3c(-c4ccc(C)c(C)c4)ccnc23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NYFVFSXVAGLJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15-5-6-17(11-16(15)2)21-9-10-25-23-20(14-27-28(21)23)24(29)26-13-18-7-8-19(30-3)12-22(18)31-4/h5-12,14H,13H2,1-4H3,(H,26,29).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 53109677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).