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

C22H21N5O3 — CID 135655659

IUPACN-(3-acetamidophenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC(=O)Nc3c(C)c(-c4ccccc4)nn32)c1
InChIInChI=1S/C22H21N5O3/c1-13-20(15-7-4-3-5-8-15)26-27-18(12-19(29)25-21(13)27)22(30)24-17-10-6-9-16(11-17)23-14(2)28/h3-11,18H,12H2,1-2H3,(H,23,28)(H,24,30)(H,25,29)
InChIKeyPUNXUWOWDMJQQO-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.34
Rot. Bonds4

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

N-(3-acetamidophenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135655659) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135655659
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-(3-acetamidophenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC(=O)Nc3c(C)c(-c4ccccc4)nn32)c1
InChIInChI=1S/C22H21N5O3/c1-13-20(15-7-4-3-5-8-15)26-27-18(12-19(29)25-21(13)27)22(30)24-17-10-6-9-16(11-17)23-14(2)28/h3-11,18H,12H2,1-2H3,(H,23,28)(H,24,30)(H,25,29)
InChIKeyPUNXUWOWDMJQQO-UHFFFAOYSA-N
XLogP3.34
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135655659) is N-(3-acetamidophenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is CC(=O)Nc1cccc(NC(=O)C2CC(=O)Nc3c(C)c(-c4ccccc4)nn32)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is PUNXUWOWDMJQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-13-20(15-7-4-3-5-8-15)26-27-18(12-19(29)25-21(13)27)22(30)24-17-10-6-9-16(11-17)23-14(2)28/h3-11,18H,12H2,1-2H3,(H,23,28)(H,24,30)(H,25,29).
What are the key properties of N-(3-acetamidophenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-(3-acetamidophenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135655659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).