N-benzyl-7-oxo-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H15N5O2 — CID 16734329

IUPACN-benzyl-7-oxo-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1c[nH]n2c(=O)cc(-c3ccncc3)nc12
InChIInChI=1S/C19H15N5O2/c25-17-10-16(14-6-8-20-9-7-14)23-18-15(12-22-24(17)18)19(26)21-11-13-4-2-1-3-5-13/h1-10,12,22H,11H2,(H,21,26)
InChIKeyGVOOEMLKTIRYCO-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.01
Rot. Bonds4

About N-benzyl-7-oxo-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-benzyl-7-oxo-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 16734329) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-benzyl-7-oxo-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-oxo-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID16734329
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC NameN-benzyl-7-oxo-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1c[nH]n2c(=O)cc(-c3ccncc3)nc12
InChIInChI=1S/C19H15N5O2/c25-17-10-16(14-6-8-20-9-7-14)23-18-15(12-22-24(17)18)19(26)21-11-13-4-2-1-3-5-13/h1-10,12,22H,11H2,(H,21,26)
InChIKeyGVOOEMLKTIRYCO-UHFFFAOYSA-N
XLogP2.01
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Nialamide
CID 4472
4-Hydroxy-6-phenyl-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
CID 135463837
2-imino-10-methyl-5-oxo-1-phenethyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 1077312
4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 4112136
3-Methyl-2-(3-phenylpropyl)-6-(4-pyridinyl)-4(3H)-pyrimidinone
CID 9817982
4-Methyl-2-(2-methylphenyl)-5-(pyridine-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 25014586
5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 25098140
5-methyl-N-(4-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 25098141
N-[(4-fluorophenyl)methyl]-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 44230665
N-(2,4-difluorobenzyl)-3-oxo-6-(pyridin-4-yl)-2,3-dihydropyridazine-4-carboxamide
CID 45272910
2-benzyl-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 46182771
4-methyl-2-phenethyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 49836179

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-oxo-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-benzyl-7-oxo-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 16734329) is N-benzyl-7-oxo-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-benzyl-7-oxo-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-benzyl-7-oxo-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCc1ccccc1)c1c[nH]n2c(=O)cc(-c3ccncc3)nc12.
What is the InChIKey of N-benzyl-7-oxo-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GVOOEMLKTIRYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c25-17-10-16(14-6-8-20-9-7-14)23-18-15(12-22-24(17)18)19(26)21-11-13-4-2-1-3-5-13/h1-10,12,22H,11H2,(H,21,26).
What are the key properties of N-benzyl-7-oxo-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-benzyl-7-oxo-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-oxo-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16734329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).