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

C23H20Cl2N4O2 — CID 15988860

IUPACN-[2-(4-chlorophenyl)ethyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCCc3ccc(Cl)cc3)c[nH]n2c(=O)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N4O2/c1-14-19(12-16-4-8-18(25)9-5-16)23(31)29-21(28-14)20(13-27-29)22(30)26-11-10-15-2-6-17(24)7-3-15/h2-9,13,27H,10-12H2,1H3,(H,26,30)
InChIKeyASHAEVIWHJBKDV-UHFFFAOYSA-N
MW455.35 g/mol
LogP4.20
Rot. Bonds6

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

N-[2-(4-chlorophenyl)ethyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 15988860) has the molecular formula C23H20Cl2N4O2 and a molecular weight of 455.35 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID15988860
Molecular FormulaC23H20Cl2N4O2
Molecular Weight455.35 g/mol
Exact Mass454.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCCc3ccc(Cl)cc3)c[nH]n2c(=O)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N4O2/c1-14-19(12-16-4-8-18(25)9-5-16)23(31)29-21(28-14)20(13-27-29)22(30)26-11-10-15-2-6-17(24)7-3-15/h2-9,13,27H,10-12H2,1H3,(H,26,30)
InChIKeyASHAEVIWHJBKDV-UHFFFAOYSA-N
XLogP4.20
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-chlorophenyl)ethyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 15988860) is N-[2-(4-chlorophenyl)ethyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NCCc3ccc(Cl)cc3)c[nH]n2c(=O)c1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ASHAEVIWHJBKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O2/c1-14-19(12-16-4-8-18(25)9-5-16)23(31)29-21(28-14)20(13-27-29)22(30)26-11-10-15-2-6-17(24)7-3-15/h2-9,13,27H,10-12H2,1H3,(H,26,30).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 455.35 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 15988860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).