methyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate

C18H19F2N3O4 — CID 42290209

IUPACmethyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(COc3ccc(F)cc3F)[nH]n2)CC1
InChIInChI=1S/C18H19F2N3O4/c1-26-18(25)11-4-6-23(7-5-11)17(24)15-9-13(21-22-15)10-27-16-3-2-12(19)8-14(16)20/h2-3,8-9,11H,4-7,10H2,1H3,(H,21,22)
InChIKeyKVLOWICBQZAYBM-UHFFFAOYSA-N
MW379.36 g/mol
LogP2.29
Rot. Bonds5

About methyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate

methyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate (PubChem CID 42290209) has the molecular formula C18H19F2N3O4 and a molecular weight of 379.36 g/mol. Its IUPAC name is methyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate
PubChem CID42290209
Molecular FormulaC18H19F2N3O4
Molecular Weight379.36 g/mol
Exact Mass379.13
IUPAC Namemethyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(COc3ccc(F)cc3F)[nH]n2)CC1
InChIInChI=1S/C18H19F2N3O4/c1-26-18(25)11-4-6-23(7-5-11)17(24)15-9-13(21-22-15)10-27-16-3-2-12(19)8-14(16)20/h2-3,8-9,11H,4-7,10H2,1H3,(H,21,22)
InChIKeyKVLOWICBQZAYBM-UHFFFAOYSA-N
XLogP2.29
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate 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

5-[(2,4-difluorophenoxy)methyl]-N-[(3R)-2-oxopiperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 95223634
methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51153897
[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 42196298
5-[(2,4-difluorophenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 42519546
[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone
CID 25285402
[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone
CID 95218664
N-[(4-fluorophenyl)methyl]-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]piperidine-4-carboxamide
CID 87046269
2-(2,4-difluorophenoxy)-1-[3-[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone
CID 127249524
methyl 1-[2-(4-bromo-2-fluorophenoxy)acetyl]pyrrolidine-3-carboxylate
CID 112733560
5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide
CID 56750778
[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(1R)-1-hydroxy-3-methylbutyl]piperidin-1-yl]methanone
CID 26320748
[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 56748579

Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate (CID 42290209) is methyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cc(COc3ccc(F)cc3F)[nH]n2)CC1.
What is the InChIKey of methyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate?
The InChIKey is KVLOWICBQZAYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O4/c1-26-18(25)11-4-6-23(7-5-11)17(24)15-9-13(21-22-15)10-27-16-3-2-12(19)8-14(16)20/h2-3,8-9,11H,4-7,10H2,1H3,(H,21,22).
What are the key properties of methyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate?
methyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate has a molecular weight of 379.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[5-[(2,4-difluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 42290209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).