3-chloro-5-ethyl-1H-pyrazole-4-carbaldehyde

C6H7ClN2O — CID 82415713

IUPAC3-chloro-5-ethyl-1H-pyrazole-4-carbaldehyde
SMILESCCc1[nH]nc(Cl)c1C=O
InChIInChI=1S/C6H7ClN2O/c1-2-5-4(3-10)6(7)9-8-5/h3H,2H2,1H3,(H,8,9)
InChIKeyBAIQZSKAAIMDNV-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.44
Rot. Bonds2

About 3-chloro-5-ethyl-1H-pyrazole-4-carbaldehyde

3-chloro-5-ethyl-1H-pyrazole-4-carbaldehyde (PubChem CID 82415713) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 3-chloro-5-ethyl-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-ethyl-1H-pyrazole-4-carbaldehyde
PubChem CID82415713
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name3-chloro-5-ethyl-1H-pyrazole-4-carbaldehyde
SMILESCCc1[nH]nc(Cl)c1C=O
InChIInChI=1S/C6H7ClN2O/c1-2-5-4(3-10)6(7)9-8-5/h3H,2H2,1H3,(H,8,9)
InChIKeyBAIQZSKAAIMDNV-UHFFFAOYSA-N
XLogP1.44
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-methyl-1H-pyrazole-4-carbaldehyde
CID 14922120
1-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-one
CID 53794891
5-(2-chloroethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 57203151
3-chloro-5-(2,2-difluoroethyl)-1H-pyrazole-4-carbaldehyde
CID 87169723
5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride
CID 88416690
5-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 121213180
5-tert-butyl-3-chloro-1H-pyrazole-4-carbaldehyde
CID 14449060
3-Chloro-5-(1-methylethyl)-1H-pyrazole-4-carboxaldehyde
CID 15933835
3-chloro-5-pentyl-1H-pyrazole-4-carboxamide
CID 68780313
5-Chloro-3-cyclopropyl-1H-pyrazole-4-carbaldehyde
CID 82412226
1-(3-chloro-5-methyl-1H-pyrazol-4-yl)ethanone
CID 45785144
3-chloro-5-cyclopentyl-1H-pyrazole-4-carbaldehyde
CID 82398002

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethyl-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 3-chloro-5-ethyl-1H-pyrazole-4-carbaldehyde (CID 82415713) is 3-chloro-5-ethyl-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-chloro-5-ethyl-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 3-chloro-5-ethyl-1H-pyrazole-4-carbaldehyde is CCc1[nH]nc(Cl)c1C=O.
What is the InChIKey of 3-chloro-5-ethyl-1H-pyrazole-4-carbaldehyde?
The InChIKey is BAIQZSKAAIMDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-2-5-4(3-10)6(7)9-8-5/h3H,2H2,1H3,(H,8,9).
What are the key properties of 3-chloro-5-ethyl-1H-pyrazole-4-carbaldehyde?
3-chloro-5-ethyl-1H-pyrazole-4-carbaldehyde has a molecular weight of 158.59 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethyl-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 82415713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).