4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid

C9H7IN4O2 — CID 103293828

IUPAC4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid
SMILESCc1c(I)c(C(=O)O)nn1-c1cccnn1
InChIInChI=1S/C9H7IN4O2/c1-5-7(10)8(9(15)16)13-14(5)6-3-2-4-11-12-6/h2-4H,1H3,(H,15,16)
InChIKeyXJKSYBLBSFMNBS-UHFFFAOYSA-N
MW330.09 g/mol
LogP1.27
Rot. Bonds2

About 4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid

4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid (PubChem CID 103293828) has the molecular formula C9H7IN4O2 and a molecular weight of 330.09 g/mol. Its IUPAC name is 4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid
PubChem CID103293828
Molecular FormulaC9H7IN4O2
Molecular Weight330.09 g/mol
Exact Mass329.96
IUPAC Name4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid
SMILESCc1c(I)c(C(=O)O)nn1-c1cccnn1
InChIInChI=1S/C9H7IN4O2/c1-5-7(10)8(9(15)16)13-14(5)6-3-2-4-11-12-6/h2-4H,1H3,(H,15,16)
InChIKeyXJKSYBLBSFMNBS-UHFFFAOYSA-N
XLogP1.27
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.09
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 103294259
8-bromo-7-methoxy-1-pyridazin-3-yl-4,5-dihydrobenzo[g]indazole-3-carboxylic acid
CID 170971837
5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid
CID 103294132
methyl 4-bromo-5-propan-2-yl-1-pyridazin-3-ylpyrazole-3-carboxylate
CID 103293788
5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 103294248
acetic acid;pyridazine-3-carboxylic acid
CID 162329499
4,5-dimethyl-2-pyridazin-3-ylpyrazol-3-amine
CID 103294294
3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine
CID 103294464
ethane;4-methylpyridazine-3-carboxylic acid
CID 166146805
(4-methylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060278
3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 103294582
5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile
CID 103294428

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid?
The IUPAC name of 4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid (CID 103293828) is 4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid is Cc1c(I)c(C(=O)O)nn1-c1cccnn1.
What is the InChIKey of 4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid?
The InChIKey is XJKSYBLBSFMNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN4O2/c1-5-7(10)8(9(15)16)13-14(5)6-3-2-4-11-12-6/h2-4H,1H3,(H,15,16).
What are the key properties of 4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid?
4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid has a molecular weight of 330.09 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 103293828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).