ethyl 1-[3-(2-fluorophenyl)-1-methylpyrazole-5-carbonyl]piperidine-4-carboxylate

C19H22FN3O3 — CID 4015862

IUPACethyl 1-[3-(2-fluorophenyl)-1-methylpyrazole-5-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(-c3ccccc3F)nn2C)CC1
InChIInChI=1S/C19H22FN3O3/c1-3-26-19(25)13-8-10-23(11-9-13)18(24)17-12-16(21-22(17)2)14-6-4-5-7-15(14)20/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyCWOUYMXOWHWIJA-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.64
Rot. Bonds4

About ethyl 1-[3-(2-fluorophenyl)-1-methylpyrazole-5-carbonyl]piperidine-4-carboxylate

ethyl 1-[3-(2-fluorophenyl)-1-methylpyrazole-5-carbonyl]piperidine-4-carboxylate (PubChem CID 4015862) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is ethyl 1-[3-(2-fluorophenyl)-1-methylpyrazole-5-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(2-fluorophenyl)-1-methylpyrazole-5-carbonyl]piperidine-4-carboxylate
PubChem CID4015862
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Nameethyl 1-[3-(2-fluorophenyl)-1-methylpyrazole-5-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(-c3ccccc3F)nn2C)CC1
InChIInChI=1S/C19H22FN3O3/c1-3-26-19(25)13-8-10-23(11-9-13)18(24)17-12-16(21-22(17)2)14-6-4-5-7-15(14)20/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyCWOUYMXOWHWIJA-UHFFFAOYSA-N
XLogP2.64
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 3473710
ethyl 1-[3-(2-fluorophenyl)-1-(4-nitrophenyl)pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 5126084
ethyl 1-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)piperidine-4-carboxylate
CID 42762142
ethyl 1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)azepane-4-carboxylate
CID 46947984
ethyl 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxylate
CID 28826033
ethyl 1-(2-amino-3-fluorobenzoyl)piperidine-4-carboxylate
CID 80503441
ethyl 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 42759372
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
ethyl 1-[3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidine-4-carboxylate
CID 5145752
ethyl 1-[2-bromo-4-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 46039856
ethyl 1-[1-ethyl-3-(2-methoxyphenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 46105384
ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate
CID 78849118

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(2-fluorophenyl)-1-methylpyrazole-5-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(2-fluorophenyl)-1-methylpyrazole-5-carbonyl]piperidine-4-carboxylate (CID 4015862) is ethyl 1-[3-(2-fluorophenyl)-1-methylpyrazole-5-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(2-fluorophenyl)-1-methylpyrazole-5-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(2-fluorophenyl)-1-methylpyrazole-5-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(-c3ccccc3F)nn2C)CC1.
What is the InChIKey of ethyl 1-[3-(2-fluorophenyl)-1-methylpyrazole-5-carbonyl]piperidine-4-carboxylate?
The InChIKey is CWOUYMXOWHWIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-3-26-19(25)13-8-10-23(11-9-13)18(24)17-12-16(21-22(17)2)14-6-4-5-7-15(14)20/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of ethyl 1-[3-(2-fluorophenyl)-1-methylpyrazole-5-carbonyl]piperidine-4-carboxylate?
ethyl 1-[3-(2-fluorophenyl)-1-methylpyrazole-5-carbonyl]piperidine-4-carboxylate has a molecular weight of 359.40 g/mol, XLogP of 2.64, 4 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-methylpyrazole-5-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 4015862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).