4-chloro-1-ethylpyrazole-5-carbaldehyde

C6H7ClN2O — CID 17024573

IUPAC4-chloro-1-ethylpyrazole-5-carbaldehyde
SMILESCCn1ncc(Cl)c1C=O
InChIInChI=1S/C6H7ClN2O/c1-2-9-6(4-10)5(7)3-8-9/h3-4H,2H2,1H3
InChIKeyRALDUINQWFDEEY-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.37
Rot. Bonds2

About 4-chloro-1-ethylpyrazole-5-carbaldehyde

4-chloro-1-ethylpyrazole-5-carbaldehyde (PubChem CID 17024573) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 4-chloro-1-ethylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-1-ethylpyrazole-5-carbaldehyde
PubChem CID17024573
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name4-chloro-1-ethylpyrazole-5-carbaldehyde
SMILESCCn1ncc(Cl)c1C=O
InChIInChI=1S/C6H7ClN2O/c1-2-9-6(4-10)5(7)3-8-9/h3-4H,2H2,1H3
InChIKeyRALDUINQWFDEEY-UHFFFAOYSA-N
XLogP1.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.37
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-1-methyl-1H-pyrazole-3-carbaldehyde
CID 2782153
1-methyl-1H-pyrazole-5-carbaldehyde
CID 7019414
(4-chloro-1-ethylpyrazol-5-yl)-N,N-diethylcarboxamide
CID 19575784
4-bromo-1-methyl-1H-pyrazole-5-carbaldehyde
CID 2794634
1-ethyl-1H-pyrazole-5-carbonyl chloride
CID 3164933
1-ethyl-1H-pyrazole-5-carbaldehyde
CID 7009534
4-chloro-1-methyl-1H-pyrazole-5-carbaldehyde
CID 7020586
4-iodo-1-Methyl-1H-pyrazole-5-carbaldehyde
CID 17853460
1-propyl-1H-pyrazole-5-carbaldehyde
CID 19620903
1,4-dimethyl-1H-pyrazole-5-carbaldehyde
CID 20718558
4-iodo-1-methyl-1H-pyrazole-3-carbaldehyde
CID 53302348
1-ethyl-4-methyl-1H-pyrazole-3-carbaldehyde
CID 91606337

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethylpyrazole-5-carbaldehyde?
The IUPAC name of 4-chloro-1-ethylpyrazole-5-carbaldehyde (CID 17024573) is 4-chloro-1-ethylpyrazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-1-ethylpyrazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-1-ethylpyrazole-5-carbaldehyde is CCn1ncc(Cl)c1C=O.
What is the InChIKey of 4-chloro-1-ethylpyrazole-5-carbaldehyde?
The InChIKey is RALDUINQWFDEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-2-9-6(4-10)5(7)3-8-9/h3-4H,2H2,1H3.
What are the key properties of 4-chloro-1-ethylpyrazole-5-carbaldehyde?
4-chloro-1-ethylpyrazole-5-carbaldehyde has a molecular weight of 158.59 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethylpyrazole-5-carbaldehyde is sourced from PubChem (CID 17024573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).