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

C17H16N4O3 — CID 25095022

IUPACN-(3-methoxyphenyl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2c(C)[nH]n(-c3ccccn3)c2=O)c1
InChIInChI=1S/C17H16N4O3/c1-11-15(16(22)19-12-6-5-7-13(10-12)24-2)17(23)21(20-11)14-8-3-4-9-18-14/h3-10,20H,1-2H3,(H,19,22)
InChIKeyKRDNZYBOOGRDSP-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.13
Rot. Bonds4

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

N-(3-methoxyphenyl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 25095022) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
PubChem CID25095022
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-(3-methoxyphenyl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2c(C)[nH]n(-c3ccccn3)c2=O)c1
InChIInChI=1S/C17H16N4O3/c1-11-15(16(22)19-12-6-5-7-13(10-12)24-2)17(23)21(20-11)14-8-3-4-9-18-14/h3-10,20H,1-2H3,(H,19,22)
InChIKeyKRDNZYBOOGRDSP-UHFFFAOYSA-N
XLogP2.13
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide (CID 25095022) is N-(3-methoxyphenyl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide is COc1cccc(NC(=O)c2c(C)[nH]n(-c3ccccn3)c2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is KRDNZYBOOGRDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-11-15(16(22)19-12-6-5-7-13(10-12)24-2)17(23)21(20-11)14-8-3-4-9-18-14/h3-10,20H,1-2H3,(H,19,22).
What are the key properties of N-(3-methoxyphenyl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
N-(3-methoxyphenyl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 25095022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).