4-chloro-3-ethyl-1-methylpyrazole-5-carbaldehyde

C7H9ClN2O — CID 83905991

IUPAC4-chloro-3-ethyl-1-methylpyrazole-5-carbaldehyde
SMILESCCc1nn(C)c(C=O)c1Cl
InChIInChI=1S/C7H9ClN2O/c1-3-5-7(8)6(4-11)10(2)9-5/h4H,3H2,1-2H3
InChIKeyLKLADOHPWHLXGV-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.45
Rot. Bonds2

About 4-chloro-3-ethyl-1-methylpyrazole-5-carbaldehyde

4-chloro-3-ethyl-1-methylpyrazole-5-carbaldehyde (PubChem CID 83905991) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 4-chloro-3-ethyl-1-methylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-3-ethyl-1-methylpyrazole-5-carbaldehyde
PubChem CID83905991
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name4-chloro-3-ethyl-1-methylpyrazole-5-carbaldehyde
SMILESCCc1nn(C)c(C=O)c1Cl
InChIInChI=1S/C7H9ClN2O/c1-3-5-7(8)6(4-11)10(2)9-5/h4H,3H2,1-2H3
InChIKeyLKLADOHPWHLXGV-UHFFFAOYSA-N
XLogP1.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-3-ethyl-1-methylpyrazole-5-carboxamide
CID 23359470
5-Chloro-3-ethyl-1-methyl-1h-pyrazole-4-carbaldehyde
CID 2757508
4-chloro-1,3-dimethyl-1H-pyrazole-5-carbaldehyde
CID 50896588
3-ethyl-1-methyl-1H-pyrazole-5-carbaldehyde
CID 57441001
4-Chloro-1,5-dimethyl-1H-pyrazole-3-carboxaldehyde
CID 82415716
3-tert-butyl-4-chloro-1-methyl-1H-pyrazole-5-carbaldehyde
CID 83908379
4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbaldehyde
CID 14928275
4-Chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl chloride
CID 14995820
4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid hydrazide
CID 15328377
4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carbonyl chloride
CID 45081914
4-Chloro-1-ethyl-3-methylpyrazole-5-carbonyl chloride
CID 139236855
1-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]ethanone
CID 19619408

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-1-methylpyrazole-5-carbaldehyde?
The IUPAC name of 4-chloro-3-ethyl-1-methylpyrazole-5-carbaldehyde (CID 83905991) is 4-chloro-3-ethyl-1-methylpyrazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-3-ethyl-1-methylpyrazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-3-ethyl-1-methylpyrazole-5-carbaldehyde is CCc1nn(C)c(C=O)c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-1-methylpyrazole-5-carbaldehyde?
The InChIKey is LKLADOHPWHLXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-3-5-7(8)6(4-11)10(2)9-5/h4H,3H2,1-2H3.
What are the key properties of 4-chloro-3-ethyl-1-methylpyrazole-5-carbaldehyde?
4-chloro-3-ethyl-1-methylpyrazole-5-carbaldehyde has a molecular weight of 172.62 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-1-methylpyrazole-5-carbaldehyde is sourced from PubChem (CID 83905991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).