N-benzyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H14N4O2 — CID 4548096

IUPACN-benzyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)NCc3ccccc3)c2n1
InChIInChI=1S/C15H14N4O2/c1-10-7-13(20)19-14(18-10)12(9-17-19)15(21)16-8-11-5-3-2-4-6-11/h2-7,9,17H,8H2,1H3,(H,16,21)
InChIKeyBNFPTKKTQKURAC-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.26
Rot. Bonds3

About N-benzyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-benzyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4548096) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-benzyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4548096
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-benzyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)NCc3ccccc3)c2n1
InChIInChI=1S/C15H14N4O2/c1-10-7-13(20)19-14(18-10)12(9-17-19)15(21)16-8-11-5-3-2-4-6-11/h2-7,9,17H,8H2,1H3,(H,16,21)
InChIKeyBNFPTKKTQKURAC-UHFFFAOYSA-N
XLogP1.26
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-benzyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4548096) is N-benzyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-benzyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(=O)n2[nH]cc(C(=O)NCc3ccccc3)c2n1.
What is the InChIKey of N-benzyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BNFPTKKTQKURAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10-7-13(20)19-14(18-10)12(9-17-19)15(21)16-8-11-5-3-2-4-6-11/h2-7,9,17H,8H2,1H3,(H,16,21).
What are the key properties of N-benzyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-benzyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4548096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).