N-(1,3-benzodioxol-5-yl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide

C17H14N4O4 — CID 25098136

IUPACN-(1,3-benzodioxol-5-yl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H14N4O4/c1-10-15(17(23)21(20-10)14-4-2-3-7-18-14)16(22)19-11-5-6-12-13(8-11)25-9-24-12/h2-8,20H,9H2,1H3,(H,19,22)
InChIKeyMAZZIHSBRSXFBM-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.85
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide

N-(1,3-benzodioxol-5-yl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 25098136) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
PubChem CID25098136
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H14N4O4/c1-10-15(17(23)21(20-10)14-4-2-3-7-18-14)16(22)19-11-5-6-12-13(8-11)25-9-24-12/h2-8,20H,9H2,1H3,(H,19,22)
InChIKeyMAZZIHSBRSXFBM-UHFFFAOYSA-N
XLogP1.85
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide (CID 25098136) is N-(1,3-benzodioxol-5-yl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide is Cc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is MAZZIHSBRSXFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4/c1-10-15(17(23)21(20-10)14-4-2-3-7-18-14)16(22)19-11-5-6-12-13(8-11)25-9-24-12/h2-8,20H,9H2,1H3,(H,19,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 338.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 25098136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).