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

C23H21ClN4O2 — CID 15988878

IUPACN-benzyl-6-[(4-chlorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)N(C)Cc3ccccc3)c[nH]n2c(=O)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN4O2/c1-15-19(12-16-8-10-18(24)11-9-16)23(30)28-21(26-15)20(13-25-28)22(29)27(2)14-17-6-4-3-5-7-17/h3-11,13,25H,12,14H2,1-2H3
InChIKeyFPBWDCGCNWIKOV-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.85
Rot. Bonds5

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

N-benzyl-6-[(4-chlorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 15988878) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-benzyl-6-[(4-chlorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[(4-chlorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID15988878
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC NameN-benzyl-6-[(4-chlorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)N(C)Cc3ccccc3)c[nH]n2c(=O)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN4O2/c1-15-19(12-16-8-10-18(24)11-9-16)23(30)28-21(26-15)20(13-25-28)22(29)27(2)14-17-6-4-3-5-7-17/h3-11,13,25H,12,14H2,1-2H3
InChIKeyFPBWDCGCNWIKOV-UHFFFAOYSA-N
XLogP3.85
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[(4-chlorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-benzyl-6-[(4-chlorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 15988878) is N-benzyl-6-[(4-chlorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-[(4-chlorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-benzyl-6-[(4-chlorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)N(C)Cc3ccccc3)c[nH]n2c(=O)c1Cc1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-6-[(4-chlorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FPBWDCGCNWIKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-15-19(12-16-8-10-18(24)11-9-16)23(30)28-21(26-15)20(13-25-28)22(29)27(2)14-17-6-4-3-5-7-17/h3-11,13,25H,12,14H2,1-2H3.
What are the key properties of N-benzyl-6-[(4-chlorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-benzyl-6-[(4-chlorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[(4-chlorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 15988878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).