[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone

C25H30N4O3 — CID 86264522

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCC(N2CCCC2COCc2ccccc2)CC1
InChIInChI=1S/C25H30N4O3/c30-25(23-16-22(26-27-23)24-9-5-15-32-24)28-13-10-20(11-14-28)29-12-4-8-21(29)18-31-17-19-6-2-1-3-7-19/h1-3,5-7,9,15-16,20-21H,4,8,10-14,17-18H2,(H,26,27)
InChIKeyLKKJSGBHYLSKSR-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.96
Rot. Bonds7

About [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone (PubChem CID 86264522) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone
PubChem CID86264522
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCC(N2CCCC2COCc2ccccc2)CC1
InChIInChI=1S/C25H30N4O3/c30-25(23-16-22(26-27-23)24-9-5-15-32-24)28-13-10-20(11-14-28)29-12-4-8-21(29)18-31-17-19-6-2-1-3-7-19/h1-3,5-7,9,15-16,20-21H,4,8,10-14,17-18H2,(H,26,27)
InChIKeyLKKJSGBHYLSKSR-UHFFFAOYSA-N
XLogP3.96
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone (CID 86264522) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCC(N2CCCC2COCc2ccccc2)CC1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is LKKJSGBHYLSKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c30-25(23-16-22(26-27-23)24-9-5-15-32-24)28-13-10-20(11-14-28)29-12-4-8-21(29)18-31-17-19-6-2-1-3-7-19/h1-3,5-7,9,15-16,20-21H,4,8,10-14,17-18H2,(H,26,27).
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 434.54 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 86264522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).