4-chloro-5-ethyl-1H-pyrazole;ethyl formate

C8H13ClN2O2 — CID 174670533

IUPAC4-chloro-5-ethyl-1H-pyrazole;ethyl formate
SMILESCCOC=O.CCc1[nH]ncc1Cl
InChIInChI=1S/C5H7ClN2.C3H6O2/c1-2-5-4(6)3-7-8-5;1-2-5-3-4/h3H,2H2,1H3,(H,7,8);3H,2H2,1H3
InChIKeyJPSDYNCFRFPAIX-UHFFFAOYSA-N
MW204.66 g/mol
LogP1.80
Rot. Bonds3

About 4-chloro-5-ethyl-1H-pyrazole;ethyl formate

4-chloro-5-ethyl-1H-pyrazole;ethyl formate (PubChem CID 174670533) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 4-chloro-5-ethyl-1H-pyrazole;ethyl formate.

Molecular Properties

Compound Name4-chloro-5-ethyl-1H-pyrazole;ethyl formate
PubChem CID174670533
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name4-chloro-5-ethyl-1H-pyrazole;ethyl formate
SMILESCCOC=O.CCc1[nH]ncc1Cl
InChIInChI=1S/C5H7ClN2.C3H6O2/c1-2-5-4(6)3-7-8-5;1-2-5-3-4/h3H,2H2,1H3,(H,7,8);3H,2H2,1H3
InChIKeyJPSDYNCFRFPAIX-UHFFFAOYSA-N
XLogP1.80
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-5-ethyl-1H-pyrazole;ethyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-5-ethyl-1H-pyrazole;ethane
CID 176927046
ethyl formate;5-ethyl-1H-imidazole
CID 175286438
lithium;ethyl formate;hydroxide
CID 174914217
ethyl formate;propa-1,2-diene
CID 174771655
ethyl formate;methanol
CID 87496134
calcium;ethyl formate;dichloride
CID 174827324
4-chloro-1H-pyrazole-5-carbaldehyde
CID 2761026
ethyl formate;pyrrole-2,5-dione
CID 19066641
ethyl formate;5-nitro-1H-imidazole
CID 174696981
5,6-dichloro-1H-indole;ethyl formate
CID 174500972
ethylbenzene;ethyl formate
CID 123765960
ethyl formate;5-methyl-1,3-thiazole
CID 174932839

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-1H-pyrazole;ethyl formate?
The IUPAC name of 4-chloro-5-ethyl-1H-pyrazole;ethyl formate (CID 174670533) is 4-chloro-5-ethyl-1H-pyrazole;ethyl formate.
What is the SMILES notation for 4-chloro-5-ethyl-1H-pyrazole;ethyl formate?
The canonical SMILES for 4-chloro-5-ethyl-1H-pyrazole;ethyl formate is CCOC=O.CCc1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-5-ethyl-1H-pyrazole;ethyl formate?
The InChIKey is JPSDYNCFRFPAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2.C3H6O2/c1-2-5-4(6)3-7-8-5;1-2-5-3-4/h3H,2H2,1H3,(H,7,8);3H,2H2,1H3.
What are the key properties of 4-chloro-5-ethyl-1H-pyrazole;ethyl formate?
4-chloro-5-ethyl-1H-pyrazole;ethyl formate has a molecular weight of 204.66 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-1H-pyrazole;ethyl formate is sourced from PubChem (CID 174670533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).