1-[(1-methylpyrazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

C10H12N4O3 — CID 82870145

IUPAC1-[(1-methylpyrazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESCn1ccc(CN2N=C(C(=O)O)CCC2=O)n1
InChIInChI=1S/C10H12N4O3/c1-13-5-4-7(11-13)6-14-9(15)3-2-8(12-14)10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
InChIKeyXOKLDETUZNQCQN-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.02
Rot. Bonds3

About 1-[(1-methylpyrazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

1-[(1-methylpyrazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 82870145) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID82870145
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name1-[(1-methylpyrazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESCn1ccc(CN2N=C(C(=O)O)CCC2=O)n1
InChIInChI=1S/C10H12N4O3/c1-13-5-4-7(11-13)6-14-9(15)3-2-8(12-14)10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
InChIKeyXOKLDETUZNQCQN-UHFFFAOYSA-N
XLogP-0.02
TPSA87.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 82918485
1-(3-methylbut-3-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 114472859
1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 82868830
6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid
CID 79231197
1-[(5-bromo-3-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 104798862
1-[2-(3-methylbutoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 54956727
5-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-3-carboxylic acid
CID 82869902
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 82868707
1-[(2-bromo-4-nitrophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 60792491
1-[2-(2-cyanoethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 43563833
N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 82865579
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (CID 82870145) is 1-[(1-methylpyrazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is Cn1ccc(CN2N=C(C(=O)O)CCC2=O)n1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is XOKLDETUZNQCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-13-5-4-7(11-13)6-14-9(15)3-2-8(12-14)10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 1-[(1-methylpyrazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
1-[(1-methylpyrazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 82870145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).