N-(4-ethoxyphenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C31H32N4O5 — CID 135548746

IUPACN-(4-ethoxyphenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnn3c2NC(c2ccc(C)cc2)=CC3c2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C31H32N4O5/c1-6-40-22-13-11-21(12-14-22)33-31(36)24-18-32-35-26(23-15-16-27(37-3)29(39-5)28(23)38-4)17-25(34-30(24)35)20-9-7-19(2)8-10-20/h7-18,26,34H,6H2,1-5H3,(H,33,36)
InChIKeyCPMHDVYMQCUWQW-UHFFFAOYSA-N
MW540.62 g/mol
LogP5.92
Rot. Bonds9

About N-(4-ethoxyphenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-ethoxyphenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135548746) has the molecular formula C31H32N4O5 and a molecular weight of 540.62 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135548746
Molecular FormulaC31H32N4O5
Molecular Weight540.62 g/mol
Exact Mass540.24
IUPAC NameN-(4-ethoxyphenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnn3c2NC(c2ccc(C)cc2)=CC3c2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C31H32N4O5/c1-6-40-22-13-11-21(12-14-22)33-31(36)24-18-32-35-26(23-15-16-27(37-3)29(39-5)28(23)38-4)17-25(34-30(24)35)20-9-7-19(2)8-10-20/h7-18,26,34H,6H2,1-5H3,(H,33,36)
InChIKeyCPMHDVYMQCUWQW-UHFFFAOYSA-N
XLogP5.92
TPSA95.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.62
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(7R)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136791592
(7S)-N-(4-chlorophenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136791571
(7R)-5-(4-chlorophenyl)-N-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136680197
(7S)-7-(2,3-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136915831
(7S)-N-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136836328
(7R)-N-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-5-(4-ethylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136791566
(7R)-N-(4-ethoxyphenyl)-7-(3-methoxyphenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136680211
(7S)-5-(4-bromophenyl)-N-(4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136791580
5-(4-chlorophenyl)-N-(4-ethoxyphenyl)-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135548726
7-(2,3-dimethoxyphenyl)-5-(3-methoxyphenyl)-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135551174
5-(4-ethylphenyl)-N-phenyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135548709
(7R)-5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136823934

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135548746) is N-(4-ethoxyphenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1ccc(NC(=O)c2cnn3c2NC(c2ccc(C)cc2)=CC3c2ccc(OC)c(OC)c2OC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CPMHDVYMQCUWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O5/c1-6-40-22-13-11-21(12-14-22)33-31(36)24-18-32-35-26(23-15-16-27(37-3)29(39-5)28(23)38-4)17-25(34-30(24)35)20-9-7-19(2)8-10-20/h7-18,26,34H,6H2,1-5H3,(H,33,36).
What are the key properties of N-(4-ethoxyphenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-ethoxyphenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 540.62 g/mol, XLogP of 5.92, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-(4-methylphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135548746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).