5-chloro-1-(6-chloropyridazin-3-yl)-3-methylpyrazole-4-carbaldehyde

C9H6Cl2N4O — CID 43145582

IUPAC5-chloro-1-(6-chloropyridazin-3-yl)-3-methylpyrazole-4-carbaldehyde
SMILESCc1nn(-c2ccc(Cl)nn2)c(Cl)c1C=O
InChIInChI=1S/C9H6Cl2N4O/c1-5-6(4-16)9(11)15(14-5)8-3-2-7(10)12-13-8/h2-4H,1H3
InChIKeyWRCMFOOCSPZFKS-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.09
Rot. Bonds2

About 5-chloro-1-(6-chloropyridazin-3-yl)-3-methylpyrazole-4-carbaldehyde

5-chloro-1-(6-chloropyridazin-3-yl)-3-methylpyrazole-4-carbaldehyde (PubChem CID 43145582) has the molecular formula C9H6Cl2N4O and a molecular weight of 257.08 g/mol. Its IUPAC name is 5-chloro-1-(6-chloropyridazin-3-yl)-3-methylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-(6-chloropyridazin-3-yl)-3-methylpyrazole-4-carbaldehyde
PubChem CID43145582
Molecular FormulaC9H6Cl2N4O
Molecular Weight257.08 g/mol
Exact Mass255.99
IUPAC Name5-chloro-1-(6-chloropyridazin-3-yl)-3-methylpyrazole-4-carbaldehyde
SMILESCc1nn(-c2ccc(Cl)nn2)c(Cl)c1C=O
InChIInChI=1S/C9H6Cl2N4O/c1-5-6(4-16)9(11)15(14-5)8-3-2-7(10)12-13-8/h2-4H,1H3
InChIKeyWRCMFOOCSPZFKS-UHFFFAOYSA-N
XLogP2.09
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(6-chloropyridazin-3-yl)-3-methylpyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-1-(6-chloropyridazin-3-yl)-3-methylpyrazole-4-carbaldehyde (CID 43145582) is 5-chloro-1-(6-chloropyridazin-3-yl)-3-methylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-1-(6-chloropyridazin-3-yl)-3-methylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-1-(6-chloropyridazin-3-yl)-3-methylpyrazole-4-carbaldehyde is Cc1nn(-c2ccc(Cl)nn2)c(Cl)c1C=O.
What is the InChIKey of 5-chloro-1-(6-chloropyridazin-3-yl)-3-methylpyrazole-4-carbaldehyde?
The InChIKey is WRCMFOOCSPZFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4O/c1-5-6(4-16)9(11)15(14-5)8-3-2-7(10)12-13-8/h2-4H,1H3.
What are the key properties of 5-chloro-1-(6-chloropyridazin-3-yl)-3-methylpyrazole-4-carbaldehyde?
5-chloro-1-(6-chloropyridazin-3-yl)-3-methylpyrazole-4-carbaldehyde has a molecular weight of 257.08 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(6-chloropyridazin-3-yl)-3-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 43145582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).