N-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide

C24H26N4O3 — CID 118165762

IUPACN-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
SMILESCOc1ccccc1-c1ccc(NC(=O)CCC(=O)N2CCCn3nc(C)cc32)cc1
InChIInChI=1S/C24H26N4O3/c1-17-16-23-27(14-5-15-28(23)26-17)24(30)13-12-22(29)25-19-10-8-18(9-11-19)20-6-3-4-7-21(20)31-2/h3-4,6-11,16H,5,12-15H2,1-2H3,(H,25,29)
InChIKeyKEXQHJPTMPGAOL-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.02
Rot. Bonds6

About N-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide

N-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide (PubChem CID 118165762) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
PubChem CID118165762
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
SMILESCOc1ccccc1-c1ccc(NC(=O)CCC(=O)N2CCCn3nc(C)cc32)cc1
InChIInChI=1S/C24H26N4O3/c1-17-16-23-27(14-5-15-28(23)26-17)24(30)13-12-22(29)25-19-10-8-18(9-11-19)20-6-3-4-7-21(20)31-2/h3-4,6-11,16H,5,12-15H2,1-2H3,(H,25,29)
InChIKeyKEXQHJPTMPGAOL-UHFFFAOYSA-N
XLogP4.02
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-fluorophenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 118165508
N-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 118165652
N-(2-fluorophenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 46282383
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-4-oxobutanamide
CID 118184676
5-(2-ethylphenyl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
CID 161423168
5-(1-benzylpiperidin-4-yl)-1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)pentane-1,4-dione
CID 159946101
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[4-(2-methoxyphenyl)phenyl]propanamide
CID 46979127
1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-[4-(1,3-oxazol-5-yl)phenyl]pentane-1,4-dione
CID 146949848
N-[4-(2-methoxyphenyl)phenyl]-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetamide
CID 95851482
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 7662633
3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-methylphenyl)propanamide
CID 53030448
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 4543473

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The IUPAC name of N-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide (CID 118165762) is N-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide.
What is the SMILES notation for N-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The canonical SMILES for N-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide is COc1ccccc1-c1ccc(NC(=O)CCC(=O)N2CCCn3nc(C)cc32)cc1.
What is the InChIKey of N-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The InChIKey is KEXQHJPTMPGAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-17-16-23-27(14-5-15-28(23)26-17)24(30)13-12-22(29)25-19-10-8-18(9-11-19)20-6-3-4-7-21(20)31-2/h3-4,6-11,16H,5,12-15H2,1-2H3,(H,25,29).
What are the key properties of N-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
N-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide has a molecular weight of 418.50 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide is sourced from PubChem (CID 118165762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).