N-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C24H24N4O2 — CID 20943397

IUPACN-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc3c(-c4cccc(C)c4)c(C)nn3c2C)cc1
InChIInChI=1S/C24H24N4O2/c1-15-6-5-7-19(12-15)22-16(2)27-28-17(3)21(14-25-23(22)28)24(29)26-13-18-8-10-20(30-4)11-9-18/h5-12,14H,13H2,1-4H3,(H,26,29)
InChIKeyNJNQAVPEEURJMQ-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.26
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 20943397) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID20943397
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc3c(-c4cccc(C)c4)c(C)nn3c2C)cc1
InChIInChI=1S/C24H24N4O2/c1-15-6-5-7-19(12-15)22-16(2)27-28-17(3)21(14-25-23(22)28)24(29)26-13-18-8-10-20(30-4)11-9-18/h5-12,14H,13H2,1-4H3,(H,26,29)
InChIKeyNJNQAVPEEURJMQ-UHFFFAOYSA-N
XLogP4.26
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 20943405
2,7-dimethyl-3-(3-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 20943415
2,7-dimethyl-3-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 20943412
N-butyl-N,2,7-trimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46338351
3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46338268
3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 50790751
2-(methoxymethyl)-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865358
N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959741
3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 16653171
N-[(4-methoxyphenyl)methyl]-2-[(3-methylbenzoyl)amino]benzamide
CID 26549729
N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255947
2,7-dimethyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46338373

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 20943397) is N-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccc(CNC(=O)c2cnc3c(-c4cccc(C)c4)c(C)nn3c2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is NJNQAVPEEURJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-15-6-5-7-19(12-15)22-16(2)27-28-17(3)21(14-25-23(22)28)24(29)26-13-18-8-10-20(30-4)11-9-18/h5-12,14H,13H2,1-4H3,(H,26,29).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20943397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).