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

C20H15ClN4O2 — CID 16734188

IUPACN-benzyl-5-(4-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1c[nH]n2c(=O)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C20H15ClN4O2/c21-15-8-6-14(7-9-15)17-10-18(26)25-19(24-17)16(12-23-25)20(27)22-11-13-4-2-1-3-5-13/h1-10,12,23H,11H2,(H,22,27)
InChIKeyPPPVZHNPLFVCNX-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.27
Rot. Bonds4

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

N-benzyl-5-(4-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 16734188) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is N-benzyl-5-(4-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID16734188
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC NameN-benzyl-5-(4-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1c[nH]n2c(=O)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C20H15ClN4O2/c21-15-8-6-14(7-9-15)17-10-18(26)25-19(24-17)16(12-23-25)20(27)22-11-13-4-2-1-3-5-13/h1-10,12,23H,11H2,(H,22,27)
InChIKeyPPPVZHNPLFVCNX-UHFFFAOYSA-N
XLogP3.27
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-benzyl-5-(4-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 16734188) is N-benzyl-5-(4-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(4-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCc1ccccc1)c1c[nH]n2c(=O)cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of N-benzyl-5-(4-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PPPVZHNPLFVCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-15-8-6-14(7-9-15)17-10-18(26)25-19(24-17)16(12-23-25)20(27)22-11-13-4-2-1-3-5-13/h1-10,12,23H,11H2,(H,22,27).
What are the key properties of N-benzyl-5-(4-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-benzyl-5-(4-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16734188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).