ethyl 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]piperidine-1-carboxylate

C19H25FN4O3 — CID 42098155

IUPACethyl 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2cn[nH]c2-c2ccc(OC)cc2F)CC1
InChIInChI=1S/C19H25FN4O3/c1-3-27-19(25)24-8-6-14(7-9-24)21-11-13-12-22-23-18(13)16-5-4-15(26-2)10-17(16)20/h4-5,10,12,14,21H,3,6-9,11H2,1-2H3,(H,22,23)
InChIKeyMZIYSTCUNGTIEW-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.93
Rot. Bonds6

About ethyl 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]piperidine-1-carboxylate

ethyl 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]piperidine-1-carboxylate (PubChem CID 42098155) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is ethyl 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]piperidine-1-carboxylate
PubChem CID42098155
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Nameethyl 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2cn[nH]c2-c2ccc(OC)cc2F)CC1
InChIInChI=1S/C19H25FN4O3/c1-3-27-19(25)24-8-6-14(7-9-24)21-11-13-12-22-23-18(13)16-5-4-15(26-2)10-17(16)20/h4-5,10,12,14,21H,3,6-9,11H2,1-2H3,(H,22,23)
InChIKeyMZIYSTCUNGTIEW-UHFFFAOYSA-N
XLogP2.93
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]piperidine-1-carboxylate (CID 42098155) is ethyl 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCc2cn[nH]c2-c2ccc(OC)cc2F)CC1.
What is the InChIKey of ethyl 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]piperidine-1-carboxylate?
The InChIKey is MZIYSTCUNGTIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c1-3-27-19(25)24-8-6-14(7-9-24)21-11-13-12-22-23-18(13)16-5-4-15(26-2)10-17(16)20/h4-5,10,12,14,21H,3,6-9,11H2,1-2H3,(H,22,23).
What are the key properties of ethyl 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]piperidine-1-carboxylate?
ethyl 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]piperidine-1-carboxylate has a molecular weight of 376.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 42098155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).