4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde

C7H9ClN2O2 — CID 114640195

IUPAC4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde
SMILESCOCCn1ncc(Cl)c1C=O
InChIInChI=1S/C7H9ClN2O2/c1-12-3-2-10-7(5-11)6(8)4-9-10/h4-5H,2-3H2,1H3
InChIKeyYZVNLQHXVMDDSF-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.00
Rot. Bonds4

About 4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde

4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde (PubChem CID 114640195) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde
PubChem CID114640195
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde
SMILESCOCCn1ncc(Cl)c1C=O
InChIInChI=1S/C7H9ClN2O2/c1-12-3-2-10-7(5-11)6(8)4-9-10/h4-5H,2-3H2,1H3
InChIKeyYZVNLQHXVMDDSF-UHFFFAOYSA-N
XLogP1.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.00
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

4-chloro-1-[2-(dimethylamino)ethyl]pyrazole-5-carbaldehyde
CID 114640197
4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one
CID 66864935
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol
CID 114662418
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol
CID 114636731
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanone
CID 114641389
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methoxy-2-methylpropan-1-one
CID 114641356
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylbutan-1-one
CID 114639108
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-ol
CID 114634657
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456331
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657526
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethanol
CID 114644981
(1-aminocyclopropyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114669526

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde?
The IUPAC name of 4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde (CID 114640195) is 4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde is COCCn1ncc(Cl)c1C=O.
What is the InChIKey of 4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde?
The InChIKey is YZVNLQHXVMDDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-12-3-2-10-7(5-11)6(8)4-9-10/h4-5H,2-3H2,1H3.
What are the key properties of 4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde?
4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde has a molecular weight of 188.61 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde is sourced from PubChem (CID 114640195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).