1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidine

C19H26ClN3O2 — CID 25380145

IUPAC1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidine
SMILESCOCCOC1CCN(Cc2cn(C)nc2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H26ClN3O2/c1-22-13-16(19(21-22)15-4-3-5-17(20)12-15)14-23-8-6-18(7-9-23)25-11-10-24-2/h3-5,12-13,18H,6-11,14H2,1-2H3
InChIKeyUZFFTAGIZXCXIK-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.37
Rot. Bonds7

About 1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidine

1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidine (PubChem CID 25380145) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidine.

Molecular Properties

Compound Name1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidine
PubChem CID25380145
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidine
SMILESCOCCOC1CCN(Cc2cn(C)nc2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H26ClN3O2/c1-22-13-16(19(21-22)15-4-3-5-17(20)12-15)14-23-8-6-18(7-9-23)25-11-10-24-2/h3-5,12-13,18H,6-11,14H2,1-2H3
InChIKeyUZFFTAGIZXCXIK-UHFFFAOYSA-N
XLogP3.37
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)-1-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine
CID 42243755
ethyl (3S)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 42384150
3-(3-chlorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141384
2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine
CID 118936843
1-(1-methoxypropan-2-yl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine
CID 91646987
3-[(2R)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 95880993
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79492888
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79484639
3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 83090694
(3R)-1-[[2-(3-chlorophenyl)-5,8-dimethoxyquinolin-3-yl]methyl]pyrrolidin-3-ol
CID 70778486
N,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 91796696
2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 114858092

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidine?
The IUPAC name of 1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidine (CID 25380145) is 1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidine.
What is the SMILES notation for 1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidine?
The canonical SMILES for 1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidine is COCCOC1CCN(Cc2cn(C)nc2-c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidine?
The InChIKey is UZFFTAGIZXCXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-22-13-16(19(21-22)15-4-3-5-17(20)12-15)14-23-8-6-18(7-9-23)25-11-10-24-2/h3-5,12-13,18H,6-11,14H2,1-2H3.
What are the key properties of 1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidine?
1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidine has a molecular weight of 363.89 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidine is sourced from PubChem (CID 25380145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).