4-chloro-1-methylpyrazole-5-carbaldehyde

C5H5ClN2O — CID 7020586

IUPAC4-chloro-1-methylpyrazole-5-carbaldehyde
SMILESCn1ncc(Cl)c1C=O
InChIInChI=1S/C5H5ClN2O/c1-8-5(3-9)4(6)2-7-8/h2-3H,1H3
InChIKeyJGARVIIOTXNVGP-UHFFFAOYSA-N
MW144.56 g/mol
LogP0.89
Rot. Bonds1

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

4-chloro-1-methylpyrazole-5-carbaldehyde (PubChem CID 7020586) has the molecular formula C5H5ClN2O and a molecular weight of 144.56 g/mol. Its IUPAC name is 4-chloro-1-methylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-1-methylpyrazole-5-carbaldehyde
PubChem CID7020586
Molecular FormulaC5H5ClN2O
Molecular Weight144.56 g/mol
Exact Mass144.01
IUPAC Name4-chloro-1-methylpyrazole-5-carbaldehyde
SMILESCn1ncc(Cl)c1C=O
InChIInChI=1S/C5H5ClN2O/c1-8-5(3-9)4(6)2-7-8/h2-3H,1H3
InChIKeyJGARVIIOTXNVGP-UHFFFAOYSA-N
XLogP0.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 50.89
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-carbonyl chloride
CID 3164932
1-methyl-1H-pyrazole-5-carbaldehyde
CID 7019414
3-Chloro-1-methyl-1H-pyrazole-5-carbaldehyde
CID 17794478
(4-chloro-1-ethylpyrazol-5-yl)-N,N-diethylcarboxamide
CID 19575784
4-bromo-1-methyl-1H-pyrazole-5-carbaldehyde
CID 2794634
4-chloro-1-ethyl-1H-pyrazole-5-carbaldehyde
CID 17024573
4-iodo-1-Methyl-1H-pyrazole-5-carbaldehyde
CID 17853460
1,4-dimethyl-1H-pyrazole-5-carbaldehyde
CID 20718558
1,4-dimethyl-1H-pyrazole-3-carbaldehyde
CID 20718560
4-chloro-1,3-dimethyl-1H-pyrazole-5-carbaldehyde
CID 50896588
4-iodo-1-methyl-1H-pyrazole-3-carbaldehyde
CID 53302348

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methylpyrazole-5-carbaldehyde?
The IUPAC name of 4-chloro-1-methylpyrazole-5-carbaldehyde (CID 7020586) is 4-chloro-1-methylpyrazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-1-methylpyrazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-1-methylpyrazole-5-carbaldehyde is Cn1ncc(Cl)c1C=O.
What is the InChIKey of 4-chloro-1-methylpyrazole-5-carbaldehyde?
The InChIKey is JGARVIIOTXNVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O/c1-8-5(3-9)4(6)2-7-8/h2-3H,1H3.
What are the key properties of 4-chloro-1-methylpyrazole-5-carbaldehyde?
4-chloro-1-methylpyrazole-5-carbaldehyde has a molecular weight of 144.56 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methylpyrazole-5-carbaldehyde is sourced from PubChem (CID 7020586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).