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

C23H21ClN4O2 — CID 15988862

IUPAC6-[(4-chlorophenyl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2c[nH]n3c(=O)c(Cc4ccc(Cl)cc4)c(C)nc23)cc1
InChIInChI=1S/C23H21ClN4O2/c1-14-3-5-17(6-4-14)12-25-22(29)20-13-26-28-21(20)27-15(2)19(23(28)30)11-16-7-9-18(24)10-8-16/h3-10,13,26H,11-12H2,1-2H3,(H,25,29)
InChIKeyOANLWLJYTFYBPE-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.81
Rot. Bonds5

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

6-[(4-chlorophenyl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 15988862) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID15988862
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name6-[(4-chlorophenyl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2c[nH]n3c(=O)c(Cc4ccc(Cl)cc4)c(C)nc23)cc1
InChIInChI=1S/C23H21ClN4O2/c1-14-3-5-17(6-4-14)12-25-22(29)20-13-26-28-21(20)27-15(2)19(23(28)30)11-16-7-9-18(24)10-8-16/h3-10,13,26H,11-12H2,1-2H3,(H,25,29)
InChIKeyOANLWLJYTFYBPE-UHFFFAOYSA-N
XLogP3.81
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 15988862) is 6-[(4-chlorophenyl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(CNC(=O)c2c[nH]n3c(=O)c(Cc4ccc(Cl)cc4)c(C)nc23)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OANLWLJYTFYBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-14-3-5-17(6-4-14)12-25-22(29)20-13-26-28-21(20)27-15(2)19(23(28)30)11-16-7-9-18(24)10-8-16/h3-10,13,26H,11-12H2,1-2H3,(H,25,29).
What are the key properties of 6-[(4-chlorophenyl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(4-chlorophenyl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 15988862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).