5-chloro-3-methyl-1-pyridin-4-ylpyrazole-4-carbaldehyde

C10H8ClN3O — CID 43543117

IUPAC5-chloro-3-methyl-1-pyridin-4-ylpyrazole-4-carbaldehyde
SMILESCc1nn(-c2ccncc2)c(Cl)c1C=O
InChIInChI=1S/C10H8ClN3O/c1-7-9(6-15)10(11)14(13-7)8-2-4-12-5-3-8/h2-6H,1H3
InChIKeyWUPNHWOSFJFFNO-UHFFFAOYSA-N
MW221.65 g/mol
LogP2.04
Rot. Bonds2

About 5-chloro-3-methyl-1-pyridin-4-ylpyrazole-4-carbaldehyde

5-chloro-3-methyl-1-pyridin-4-ylpyrazole-4-carbaldehyde (PubChem CID 43543117) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-pyridin-4-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-methyl-1-pyridin-4-ylpyrazole-4-carbaldehyde
PubChem CID43543117
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name5-chloro-3-methyl-1-pyridin-4-ylpyrazole-4-carbaldehyde
SMILESCc1nn(-c2ccncc2)c(Cl)c1C=O
InChIInChI=1S/C10H8ClN3O/c1-7-9(6-15)10(11)14(13-7)8-2-4-12-5-3-8/h2-6H,1H3
InChIKeyWUPNHWOSFJFFNO-UHFFFAOYSA-N
XLogP2.04
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carbaldehyde
CID 877236
5-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
CID 712938
5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 613027
5-chloro-1-phenyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
CID 15145035
5-Chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carboxaldehyde
CID 2318104
3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 848884
3-tert-butyl-5-chloro-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 15163316
4-Chloro-3,5-dimethylpyrazolyl 4-pyridyl ketone
CID 1223927
1-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde
CID 15767236
5-chloro-1-(3-chlorophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde
CID 2363724
Nicotinic acid (5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-ylmethylene)-hydrazide
CID 6862552
(2-Chloropyridin-3-yl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone
CID 3657807

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1-pyridin-4-ylpyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-methyl-1-pyridin-4-ylpyrazole-4-carbaldehyde (CID 43543117) is 5-chloro-3-methyl-1-pyridin-4-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-methyl-1-pyridin-4-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-methyl-1-pyridin-4-ylpyrazole-4-carbaldehyde is Cc1nn(-c2ccncc2)c(Cl)c1C=O.
What is the InChIKey of 5-chloro-3-methyl-1-pyridin-4-ylpyrazole-4-carbaldehyde?
The InChIKey is WUPNHWOSFJFFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c1-7-9(6-15)10(11)14(13-7)8-2-4-12-5-3-8/h2-6H,1H3.
What are the key properties of 5-chloro-3-methyl-1-pyridin-4-ylpyrazole-4-carbaldehyde?
5-chloro-3-methyl-1-pyridin-4-ylpyrazole-4-carbaldehyde has a molecular weight of 221.65 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1-pyridin-4-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 43543117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).