N-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

C22H22N4O5 — CID 135633545

IUPACN-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)Nc3c(-c4ccccc4OC)cnn32)cc1OC
InChIInChI=1S/C22H22N4O5/c1-29-17-7-5-4-6-14(17)15-12-23-26-16(11-20(27)25-21(15)26)22(28)24-13-8-9-18(30-2)19(10-13)31-3/h4-10,12,16H,11H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyJHZZCDVTZBLOBL-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.10
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

N-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135633545) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135633545
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)Nc3c(-c4ccccc4OC)cnn32)cc1OC
InChIInChI=1S/C22H22N4O5/c1-29-17-7-5-4-6-14(17)15-12-23-26-16(11-20(27)25-21(15)26)22(28)24-13-8-9-18(30-2)19(10-13)31-3/h4-10,12,16H,11H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyJHZZCDVTZBLOBL-UHFFFAOYSA-N
XLogP3.10
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135633545) is N-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(NC(=O)C2CC(=O)Nc3c(-c4ccccc4OC)cnn32)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is JHZZCDVTZBLOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-29-17-7-5-4-6-14(17)15-12-23-26-16(11-20(27)25-21(15)26)22(28)24-13-8-9-18(30-2)19(10-13)31-3/h4-10,12,16H,11H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135633545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).