5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrazole-4-carboxamide

C21H20N8O3 — CID 146088618

IUPAC5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C21H20N8O3/c1-13-17(12-23-29(13)18-7-8-19(30)27-26-18)21(32)25-16-6-3-5-15(11-16)24-20(31)14(2)28-10-4-9-22-28/h3-12,14H,1-2H3,(H,24,31)(H,25,32)(H,27,30)
InChIKeyDDQLAXRBWHFYDJ-UHFFFAOYSA-N
MW432.44 g/mol
LogP1.91
Rot. Bonds6

About 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrazole-4-carboxamide

5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrazole-4-carboxamide (PubChem CID 146088618) has the molecular formula C21H20N8O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrazole-4-carboxamide
PubChem CID146088618
Molecular FormulaC21H20N8O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC Name5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C21H20N8O3/c1-13-17(12-23-29(13)18-7-8-19(30)27-26-18)21(32)25-16-6-3-5-15(11-16)24-20(31)14(2)28-10-4-9-22-28/h3-12,14H,1-2H3,(H,24,31)(H,25,32)(H,27,30)
InChIKeyDDQLAXRBWHFYDJ-UHFFFAOYSA-N
XLogP1.91
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrazole-4-carboxamide (CID 146088618) is 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)cnn1-c1ccc(=O)[nH]n1.
What is the InChIKey of 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrazole-4-carboxamide?
The InChIKey is DDQLAXRBWHFYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O3/c1-13-17(12-23-29(13)18-7-8-19(30)27-26-18)21(32)25-16-6-3-5-15(11-16)24-20(31)14(2)28-10-4-9-22-28/h3-12,14H,1-2H3,(H,24,31)(H,25,32)(H,27,30).
What are the key properties of 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrazole-4-carboxamide?
5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrazole-4-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146088618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).