ethyl 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidine-3-carboxylate

C19H24FN3O2 — CID 45211003

IUPACethyl 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2cn(C)nc2-c2ccccc2F)C1
InChIInChI=1S/C19H24FN3O2/c1-3-25-19(24)14-7-6-10-23(12-14)13-15-11-22(2)21-18(15)16-8-4-5-9-17(16)20/h4-5,8-9,11,14H,3,6-7,10,12-13H2,1-2H3
InChIKeyLWNBQAGVUMXSAN-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.00
Rot. Bonds5

About ethyl 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidine-3-carboxylate

ethyl 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidine-3-carboxylate (PubChem CID 45211003) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is ethyl 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidine-3-carboxylate
PubChem CID45211003
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Nameethyl 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2cn(C)nc2-c2ccccc2F)C1
InChIInChI=1S/C19H24FN3O2/c1-3-25-19(24)14-7-6-10-23(12-14)13-15-11-22(2)21-18(15)16-8-4-5-9-17(16)20/h4-5,8-9,11,14H,3,6-7,10,12-13H2,1-2H3
InChIKeyLWNBQAGVUMXSAN-UHFFFAOYSA-N
XLogP3.00
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (4-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-3-morpholinyl)acetate
CID 16189986
ethyl 3-(2-methylbenzyl)-1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinecarboxylate
CID 16187578
ethyl 3-benzyl-1-[3-(1H-pyrazol-1-yl)propyl]piperidine-3-carboxylate
CID 16187638
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
ethyl 3-benzyl-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxylate
CID 16188448
ethyl 1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorobenzyl)-4-piperidinecarboxylate
CID 16188927
ethyl 1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}piperidine-3-carboxylate
CID 16190101
ethyl 1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorobenzyl)-4-piperidinecarboxylate
CID 16190374
ethyl 1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorobenzyl)piperidine-4-carboxylate
CID 16190624
ethyl 1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-(3-phenylpropyl)-4-piperidinecarboxylate
CID 16190634
ethyl 1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidine-2-carboxylate
CID 16187266
3-[1-(2-Carboxyethyl)-3-(p-tolyl)pyrazol-4-yl]propanoic acid
CID 2389010

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidine-3-carboxylate (CID 45211003) is ethyl 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2cn(C)nc2-c2ccccc2F)C1.
What is the InChIKey of ethyl 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidine-3-carboxylate?
The InChIKey is LWNBQAGVUMXSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-3-25-19(24)14-7-6-10-23(12-14)13-15-11-22(2)21-18(15)16-8-4-5-9-17(16)20/h4-5,8-9,11,14H,3,6-7,10,12-13H2,1-2H3.
What are the key properties of ethyl 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidine-3-carboxylate?
ethyl 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidine-3-carboxylate has a molecular weight of 345.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidine-3-carboxylate is sourced from PubChem (CID 45211003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).