2-ethyl-3-pyridin-3-yl-3,4-dihydropyrazole-5-carbonyl chloride

C11H12ClN3O — CID 2784612

IUPAC2-ethyl-3-pyridin-3-yl-3,4-dihydropyrazole-5-carbonyl chloride
SMILESCCN1N=C(C(=O)Cl)CC1c1cccnc1
InChIInChI=1S/C11H12ClN3O/c1-2-15-10(6-9(14-15)11(12)16)8-4-3-5-13-7-8/h3-5,7,10H,2,6H2,1H3
InChIKeyNBLYXAKIDIUZDB-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.97
Rot. Bonds3

About 2-ethyl-3-pyridin-3-yl-3,4-dihydropyrazole-5-carbonyl chloride

2-ethyl-3-pyridin-3-yl-3,4-dihydropyrazole-5-carbonyl chloride (PubChem CID 2784612) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-ethyl-3-pyridin-3-yl-3,4-dihydropyrazole-5-carbonyl chloride.

Molecular Properties

Compound Name2-ethyl-3-pyridin-3-yl-3,4-dihydropyrazole-5-carbonyl chloride
PubChem CID2784612
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-ethyl-3-pyridin-3-yl-3,4-dihydropyrazole-5-carbonyl chloride
SMILESCCN1N=C(C(=O)Cl)CC1c1cccnc1
InChIInChI=1S/C11H12ClN3O/c1-2-15-10(6-9(14-15)11(12)16)8-4-3-5-13-7-8/h3-5,7,10H,2,6H2,1H3
InChIKeyNBLYXAKIDIUZDB-UHFFFAOYSA-N
XLogP1.97
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-3-pyridin-3-yl-3,4-dihydropyrazole-5-carbonyl chloride 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

3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
(3R)-3-phenyl-2-propyl-3,4-dihydropyrazole-5-carboxylic acid
CID 129411431
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid
CID 70556127
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
1-methyl-2,6-dipyridin-3-ylpiperidin-4-one
CID 67052519
1-[(1S,2S)-2-pyridin-3-ylcyclopropyl]propan-1-one
CID 138715755
3-[(1R,2R)-2-ethylcyclopropyl]pyridine
CID 142709158
2-bromo-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 55125872

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-pyridin-3-yl-3,4-dihydropyrazole-5-carbonyl chloride?
The IUPAC name of 2-ethyl-3-pyridin-3-yl-3,4-dihydropyrazole-5-carbonyl chloride (CID 2784612) is 2-ethyl-3-pyridin-3-yl-3,4-dihydropyrazole-5-carbonyl chloride.
What is the SMILES notation for 2-ethyl-3-pyridin-3-yl-3,4-dihydropyrazole-5-carbonyl chloride?
The canonical SMILES for 2-ethyl-3-pyridin-3-yl-3,4-dihydropyrazole-5-carbonyl chloride is CCN1N=C(C(=O)Cl)CC1c1cccnc1.
What is the InChIKey of 2-ethyl-3-pyridin-3-yl-3,4-dihydropyrazole-5-carbonyl chloride?
The InChIKey is NBLYXAKIDIUZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-2-15-10(6-9(14-15)11(12)16)8-4-3-5-13-7-8/h3-5,7,10H,2,6H2,1H3.
What are the key properties of 2-ethyl-3-pyridin-3-yl-3,4-dihydropyrazole-5-carbonyl chloride?
2-ethyl-3-pyridin-3-yl-3,4-dihydropyrazole-5-carbonyl chloride has a molecular weight of 237.69 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-pyridin-3-yl-3,4-dihydropyrazole-5-carbonyl chloride is sourced from PubChem (CID 2784612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).