N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H19ClN4O — CID 50793889

IUPACN-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C26H19ClN4O/c27-21-13-11-18(12-14-21)16-28-26(32)22-17-29-31-24(20-9-5-2-6-10-20)15-23(30-25(22)31)19-7-3-1-4-8-19/h1-15,17H,16H2,(H,28,32)
InChIKeyMSJBFFWQRIAZSZ-UHFFFAOYSA-N
MW438.92 g/mol
LogP5.65
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 50793889) has the molecular formula C26H19ClN4O and a molecular weight of 438.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID50793889
Molecular FormulaC26H19ClN4O
Molecular Weight438.92 g/mol
Exact Mass438.12
IUPAC NameN-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C26H19ClN4O/c27-21-13-11-18(12-14-21)16-28-26(32)22-17-29-31-24(20-9-5-2-6-10-20)15-23(30-25(22)31)19-7-3-1-4-8-19/h1-15,17H,16H2,(H,28,32)
InChIKeyMSJBFFWQRIAZSZ-UHFFFAOYSA-N
XLogP5.65
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.92
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981655
N-benzyl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3553852
N-(3-chloro-2-methylphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981658
5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 92750093
7-(difluoromethyl)-5-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1229813
6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide
CID 4632644
N-(3-morpholin-4-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2298706
N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24716902
N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2871894
7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5074183
(2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 4118984
3-chloro-N-[(4-chlorophenyl)methyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 157358783

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 50793889) is N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MSJBFFWQRIAZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4O/c27-21-13-11-18(12-14-21)16-28-26(32)22-17-29-31-24(20-9-5-2-6-10-20)15-23(30-25(22)31)19-7-3-1-4-8-19/h1-15,17H,16H2,(H,28,32).
What are the key properties of N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 50793889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).