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

C23H21ClN4O2 — CID 66836719

IUPAC6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCCc3ccccc3)c[nH]n2c(=O)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN4O2/c1-15-19(13-17-7-9-18(24)10-8-17)23(30)28-21(27-15)20(14-26-28)22(29)25-12-11-16-5-3-2-4-6-16/h2-10,14,26H,11-13H2,1H3,(H,25,29)
InChIKeyABSQFPOFGDXUEF-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.55
Rot. Bonds6

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

6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66836719) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66836719
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCCc3ccccc3)c[nH]n2c(=O)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN4O2/c1-15-19(13-17-7-9-18(24)10-8-17)23(30)28-21(27-15)20(14-26-28)22(29)25-12-11-16-5-3-2-4-6-16/h2-10,14,26H,11-13H2,1H3,(H,25,29)
InChIKeyABSQFPOFGDXUEF-UHFFFAOYSA-N
XLogP3.55
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.55
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-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66836719) is 6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NCCc3ccccc3)c[nH]n2c(=O)c1Cc1ccc(Cl)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ABSQFPOFGDXUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-15-19(13-17-7-9-18(24)10-8-17)23(30)28-21(27-15)20(14-26-28)22(29)25-12-11-16-5-3-2-4-6-16/h2-10,14,26H,11-13H2,1H3,(H,25,29).
What are the key properties of 6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 3.55, 6 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-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66836719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).