4-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1,2,3,6-tetrahydropyridine

C11H16ClN3O — CID 114663055

IUPAC4-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1,2,3,6-tetrahydropyridine
SMILESCOCCn1ncc(Cl)c1C1=CCNCC1
InChIInChI=1S/C11H16ClN3O/c1-16-7-6-15-11(10(12)8-14-15)9-2-4-13-5-3-9/h2,8,13H,3-7H2,1H3
InChIKeyRVRUVWALFVTXHS-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.56
Rot. Bonds4

About 4-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1,2,3,6-tetrahydropyridine

4-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1,2,3,6-tetrahydropyridine (PubChem CID 114663055) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1,2,3,6-tetrahydropyridine
PubChem CID114663055
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1,2,3,6-tetrahydropyridine
SMILESCOCCn1ncc(Cl)c1C1=CCNCC1
InChIInChI=1S/C11H16ClN3O/c1-16-7-6-15-11(10(12)8-14-15)9-2-4-13-5-3-9/h2,8,13H,3-7H2,1H3
InChIKeyRVRUVWALFVTXHS-UHFFFAOYSA-N
XLogP1.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1,2,3,6-tetrahydropyridine 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-2-(2-methoxyethyl)-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridazin-3-one
CID 107488362
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol
CID 114662418
4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one
CID 66864935
5-(4-bromopentan-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole
CID 114665569
5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole
CID 114656492
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dibromophenyl)methanamine
CID 107977808
4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde
CID 114640195
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine
CID 114661699
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(1-methylcyclopropyl)ethanol
CID 114637042
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone
CID 114669264
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol
CID 114636731
6-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline
CID 114662267

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1,2,3,6-tetrahydropyridine (CID 114663055) is 4-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1,2,3,6-tetrahydropyridine is COCCn1ncc(Cl)c1C1=CCNCC1.
What is the InChIKey of 4-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1,2,3,6-tetrahydropyridine?
The InChIKey is RVRUVWALFVTXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-16-7-6-15-11(10(12)8-14-15)9-2-4-13-5-3-9/h2,8,13H,3-7H2,1H3.
What are the key properties of 4-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1,2,3,6-tetrahydropyridine?
4-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1,2,3,6-tetrahydropyridine has a molecular weight of 241.72 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114663055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).