N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C24H22Cl2N4O — CID 42659791

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCc1c(C(=O)NCCc2ccc(Cl)cc2Cl)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C24H22Cl2N4O/c1-2-6-22-19(24(31)27-12-11-16-9-10-18(25)13-20(16)26)15-28-23-14-21(29-30(22)23)17-7-4-3-5-8-17/h3-5,7-10,13-15H,2,6,11-12H2,1H3,(H,27,31)
InChIKeyGXDDBUHODUJRLP-UHFFFAOYSA-N
MW453.37 g/mol
LogP5.63
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 42659791) has the molecular formula C24H22Cl2N4O and a molecular weight of 453.37 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID42659791
Molecular FormulaC24H22Cl2N4O
Molecular Weight453.37 g/mol
Exact Mass452.12
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCc1c(C(=O)NCCc2ccc(Cl)cc2Cl)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C24H22Cl2N4O/c1-2-6-22-19(24(31)27-12-11-16-9-10-18(25)13-20(16)26)15-28-23-14-21(29-30(22)23)17-7-4-3-5-8-17/h3-5,7-10,13-15H,2,6,11-12H2,1H3,(H,27,31)
InChIKeyGXDDBUHODUJRLP-UHFFFAOYSA-N
XLogP5.63
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.37
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-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

N-(3-methoxypropyl)-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4317033
2-(4-chlorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7360415
7-methyl-2-phenyl-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5149768
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080104
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3651301
N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 42752722
2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114917183
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 2547735
2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109263983
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61038721
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 46650943

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 42659791) is N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCc1c(C(=O)NCCc2ccc(Cl)cc2Cl)cnc2cc(-c3ccccc3)nn12.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is GXDDBUHODUJRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O/c1-2-6-22-19(24(31)27-12-11-16-9-10-18(25)13-20(16)26)15-28-23-14-21(29-30(22)23)17-7-4-3-5-8-17/h3-5,7-10,13-15H,2,6,11-12H2,1H3,(H,27,31).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 453.37 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42659791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).