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

C27H24N4O3 — CID 135546936

IUPAC5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C2C=C(c3cccc(OC)c3)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1
InChIInChI=1S/C27H24N4O3/c1-33-21-13-11-18(12-14-21)25-16-24(19-7-6-10-22(15-19)34-2)30-26-23(17-28-31(25)26)27(32)29-20-8-4-3-5-9-20/h3-17,25,30H,1-2H3,(H,29,32)
InChIKeyDRGDWRXEDSPEEK-UHFFFAOYSA-N
MW452.51 g/mol
LogP5.21
Rot. Bonds6

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

5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135546936) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135546936
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC Name5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C2C=C(c3cccc(OC)c3)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1
InChIInChI=1S/C27H24N4O3/c1-33-21-13-11-18(12-14-21)25-16-24(19-7-6-10-22(15-19)34-2)30-26-23(17-28-31(25)26)27(32)29-20-8-4-3-5-9-20/h3-17,25,30H,1-2H3,(H,29,32)
InChIKeyDRGDWRXEDSPEEK-UHFFFAOYSA-N
XLogP5.21
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N~2~-(1-Cyclopentyl-4-Oxo-4,7-Dihydro-1h-Pyrazolo[3,4-D]pyrimidin-6-Yl)-N-(4-Methoxyphenyl)-D-Alaninamide
CID 135566935
2-(4-Methoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136391507
2-(4-Phenoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983748
(5S,7R)-5-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136252896
4-methoxy-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869417
1-(4-methoxyphenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869429
1-[4-(benzyloxy)phenyl]-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869431
6-(3-fluorophenyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15990659
N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44232172
N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 57878392
2-[4-(dimethylamino)phenyl]-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560472
6-[(3S,4S)-1-(4-methoxybenzyl)-4-methylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886496

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135546936) is 5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(C2C=C(c3cccc(OC)c3)Nc3c(C(=O)Nc4ccccc4)cnn32)cc1.
What is the InChIKey of 5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DRGDWRXEDSPEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-33-21-13-11-18(12-14-21)25-16-24(19-7-6-10-22(15-19)34-2)30-26-23(17-28-31(25)26)27(32)29-20-8-4-3-5-9-20/h3-17,25,30H,1-2H3,(H,29,32).
What are the key properties of 5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135546936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).