3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole

C6H8ClN3O2 — CID 129275863

IUPAC3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole
SMILESCOCCn1cc(N=O)c(Cl)n1
InChIInChI=1S/C6H8ClN3O2/c1-12-3-2-10-4-5(9-11)6(7)8-10/h4H,2-3H2,1H3
InChIKeyMWMSPFDTMLSFOV-UHFFFAOYSA-N
MW189.60 g/mol
LogP1.58
Rot. Bonds4

About 3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole

3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole (PubChem CID 129275863) has the molecular formula C6H8ClN3O2 and a molecular weight of 189.60 g/mol. Its IUPAC name is 3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole.

Molecular Properties

Compound Name3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole
PubChem CID129275863
Molecular FormulaC6H8ClN3O2
Molecular Weight189.60 g/mol
Exact Mass189.03
IUPAC Name3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole
SMILESCOCCn1cc(N=O)c(Cl)n1
InChIInChI=1S/C6H8ClN3O2/c1-12-3-2-10-4-5(9-11)6(7)8-10/h4H,2-3H2,1H3
InChIKeyMWMSPFDTMLSFOV-UHFFFAOYSA-N
XLogP1.58
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole?
The IUPAC name of 3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole (CID 129275863) is 3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole.
What is the SMILES notation for 3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole?
The canonical SMILES for 3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole is COCCn1cc(N=O)c(Cl)n1.
What is the InChIKey of 3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole?
The InChIKey is MWMSPFDTMLSFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O2/c1-12-3-2-10-4-5(9-11)6(7)8-10/h4H,2-3H2,1H3.
What are the key properties of 3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole?
3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole has a molecular weight of 189.60 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole is sourced from PubChem (CID 129275863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).