2-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]acetic acid

C15H19N5O4 — CID 119193075

IUPAC2-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCc1c(C(=O)N(CC(=O)O)CC(C)C)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C15H19N5O4/c1-9(2)7-19(8-14(22)23)15(24)11-6-16-20(10(11)3)12-4-5-13(21)18-17-12/h4-6,9H,7-8H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyXXRWREYGZHZWIZ-UHFFFAOYSA-N
MW333.35 g/mol
LogP0.45
Rot. Bonds6

About 2-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]acetic acid

2-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 119193075) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]acetic acid
PubChem CID119193075
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name2-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCc1c(C(=O)N(CC(=O)O)CC(C)C)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C15H19N5O4/c1-9(2)7-19(8-14(22)23)15(24)11-6-16-20(10(11)3)12-4-5-13(21)18-17-12/h4-6,9H,7-8H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyXXRWREYGZHZWIZ-UHFFFAOYSA-N
XLogP0.45
TPSA121.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]acetic acid (CID 119193075) is 2-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]acetic acid is Cc1c(C(=O)N(CC(=O)O)CC(C)C)cnn1-c1ccc(=O)[nH]n1.
What is the InChIKey of 2-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is XXRWREYGZHZWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-9(2)7-19(8-14(22)23)15(24)11-6-16-20(10(11)3)12-4-5-13(21)18-17-12/h4-6,9H,7-8H2,1-3H3,(H,18,21)(H,22,23).
What are the key properties of 2-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]acetic acid?
2-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 333.35 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119193075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).