[1-[(2,4-difluorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

C20H20F2N4O3 — CID 19473171

IUPAC[1-[(2,4-difluorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccn(COc2ccc(F)cc2F)n1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H20F2N4O3/c21-15-3-4-19(17(22)12-15)29-14-26-6-5-18(23-26)20(27)25-9-7-24(8-10-25)13-16-2-1-11-28-16/h1-6,11-12H,7-10,13-14H2
InChIKeyJMARKPUCNGLXJS-UHFFFAOYSA-N
MW402.40 g/mol
LogP2.75
Rot. Bonds6

About [1-[(2,4-difluorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

[1-[(2,4-difluorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 19473171) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is [1-[(2,4-difluorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(2,4-difluorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID19473171
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Name[1-[(2,4-difluorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccn(COc2ccc(F)cc2F)n1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H20F2N4O3/c21-15-3-4-19(17(22)12-15)29-14-26-6-5-18(23-26)20(27)25-9-7-24(8-10-25)13-16-2-1-11-28-16/h1-6,11-12H,7-10,13-14H2
InChIKeyJMARKPUCNGLXJS-UHFFFAOYSA-N
XLogP2.75
TPSA63.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19472458
[1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19472964
(1-ethylpyrazol-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19279222
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-(phenoxymethyl)pyrazol-3-yl]methanone
CID 19472780
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]methanone
CID 19472453
[1-[(4-bromo-2-chlorophenoxy)methyl]pyrazol-3-yl]-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19472858
(4-benzylpiperazin-1-yl)-[1-[(4-bromo-2-chlorophenoxy)methyl]pyrazol-3-yl]methanone
CID 19290847
1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide
CID 19618706
[1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19472452
[1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17022181
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[1-[(4-methoxyphenoxy)methyl]pyrazol-3-yl]methanone
CID 19473034
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19515200

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-difluorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-[(2,4-difluorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (CID 19473171) is [1-[(2,4-difluorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[(2,4-difluorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[(2,4-difluorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccn(COc2ccc(F)cc2F)n1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of [1-[(2,4-difluorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is JMARKPUCNGLXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3/c21-15-3-4-19(17(22)12-15)29-14-26-6-5-18(23-26)20(27)25-9-7-24(8-10-25)13-16-2-1-11-28-16/h1-6,11-12H,7-10,13-14H2.
What are the key properties of [1-[(2,4-difluorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
[1-[(2,4-difluorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 402.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-difluorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 19473171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).