N-(2-methylphenyl)-2-[(6S)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]acetamide

C21H20N4O2 — CID 135885441

IUPACN-(2-methylphenyl)-2-[(6S)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESCc1ccccc1NC(=O)C[C@H]1Cn2ncc(-c3ccccc3)c2NC1=O
InChIInChI=1S/C21H20N4O2/c1-14-7-5-6-10-18(14)23-19(26)11-16-13-25-20(24-21(16)27)17(12-22-25)15-8-3-2-4-9-15/h2-10,12,16H,11,13H2,1H3,(H,23,26)(H,24,27)/t16-/m0/s1
InChIKeyHPCNKDPITAEGQP-INIZCTEOSA-N
MW360.42 g/mol
LogP3.46
Rot. Bonds4

About N-(2-methylphenyl)-2-[(6S)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]acetamide

N-(2-methylphenyl)-2-[(6S)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]acetamide (PubChem CID 135885441) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[(6S)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[(6S)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]acetamide
PubChem CID135885441
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(2-methylphenyl)-2-[(6S)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESCc1ccccc1NC(=O)C[C@H]1Cn2ncc(-c3ccccc3)c2NC1=O
InChIInChI=1S/C21H20N4O2/c1-14-7-5-6-10-18(14)23-19(26)11-16-13-25-20(24-21(16)27)17(12-22-25)15-8-3-2-4-9-15/h2-10,12,16H,11,13H2,1H3,(H,23,26)(H,24,27)/t16-/m0/s1
InChIKeyHPCNKDPITAEGQP-INIZCTEOSA-N
XLogP3.46
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide
CID 135886840
2-[(6R)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide
CID 136875242
N-(4-methylphenyl)-2-[(3R)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide
CID 136826173
N-(2-fluorophenyl)-2-(2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide
CID 135634981
N-(2-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875248
N-(2-ethoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875253
2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-N-(2-methylphenyl)acetamide
CID 171347082
2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618917
2-(azetidin-3-yl)-N-(2-methylphenyl)acetamide
CID 64615932
2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methylphenyl)acetamide
CID 29158251
N-(2-methylphenyl)-2-(2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
CID 20962188
2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide
CID 16868102

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[(6S)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[(6S)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]acetamide (CID 135885441) is N-(2-methylphenyl)-2-[(6S)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[(6S)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[(6S)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]acetamide is Cc1ccccc1NC(=O)C[C@H]1Cn2ncc(-c3ccccc3)c2NC1=O.
What is the InChIKey of N-(2-methylphenyl)-2-[(6S)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]acetamide?
The InChIKey is HPCNKDPITAEGQP-INIZCTEOSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-7-5-6-10-18(14)23-19(26)11-16-13-25-20(24-21(16)27)17(12-22-25)15-8-3-2-4-9-15/h2-10,12,16H,11,13H2,1H3,(H,23,26)(H,24,27)/t16-/m0/s1.
What are the key properties of N-(2-methylphenyl)-2-[(6S)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]acetamide?
N-(2-methylphenyl)-2-[(6S)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]acetamide has a molecular weight of 360.42 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[(6S)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 135885441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).