5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde

C13H13ClN4O — CID 103294235

IUPAC5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde
SMILESO=Cc1c(C2CCCC2)nn(-c2cccnn2)c1Cl
InChIInChI=1S/C13H13ClN4O/c14-13-10(8-19)12(9-4-1-2-5-9)17-18(13)11-6-3-7-15-16-11/h3,6-9H,1-2,4-5H2
InChIKeyBQPBXTDAIPOZJW-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.79
Rot. Bonds3

About 5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde

5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde (PubChem CID 103294235) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde
PubChem CID103294235
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde
SMILESO=Cc1c(C2CCCC2)nn(-c2cccnn2)c1Cl
InChIInChI=1S/C13H13ClN4O/c14-13-10(8-19)12(9-4-1-2-5-9)17-18(13)11-6-3-7-15-16-11/h3,6-9H,1-2,4-5H2
InChIKeyBQPBXTDAIPOZJW-UHFFFAOYSA-N
XLogP2.79
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-cyclopropyl-1-(6-methylpyridazin-3-yl)pyrazole-4-carbaldehyde
CID 63353537
3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine
CID 103294464
5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride
CID 103294611
3-cyclopentylpyridazine
CID 57011827
5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
CID 63353977
5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile
CID 103294428
1-pyridazin-3-ylpiperidine-3-carbaldehyde
CID 62664168
5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 103294248
5-chloro-3-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 55189272
3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine
CID 103294273
N-methyl-N-(1-pyridazin-3-ylpiperidin-4-yl)formamide
CID 121338355
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde (CID 103294235) is 5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde is O=Cc1c(C2CCCC2)nn(-c2cccnn2)c1Cl.
What is the InChIKey of 5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde?
The InChIKey is BQPBXTDAIPOZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c14-13-10(8-19)12(9-4-1-2-5-9)17-18(13)11-6-3-7-15-16-11/h3,6-9H,1-2,4-5H2.
What are the key properties of 5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde?
5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde has a molecular weight of 276.73 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 103294235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).