[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone

C17H22N4O3 — CID 95759149

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCN([C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C17H22N4O3/c22-15-4-1-3-14(15)20-6-8-21(9-7-20)17(23)13-11-12(18-19-13)16-5-2-10-24-16/h2,5,10-11,14-15,22H,1,3-4,6-9H2,(H,18,19)/t14-,15-/m0/s1
InChIKeyXRIXBJURQSLWEH-GJZGRUSLSA-N
MW330.39 g/mol
LogP1.34
Rot. Bonds3

About [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (PubChem CID 95759149) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
PubChem CID95759149
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCN([C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C17H22N4O3/c22-15-4-1-3-14(15)20-6-8-21(9-7-20)17(23)13-11-12(18-19-13)16-5-2-10-24-16/h2,5,10-11,14-15,22H,1,3-4,6-9H2,(H,18,19)/t14-,15-/m0/s1
InChIKeyXRIXBJURQSLWEH-GJZGRUSLSA-N
XLogP1.34
TPSA85.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 35554692
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759229
N-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide
CID 86992460
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 43056712
(4-tert-butylazepan-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 86962168
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 95758908
1,4-diazepan-1-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119417177
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 35555894
[5-(furan-2-yl)-1H-pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995824
(2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 20910914
3-azabicyclo[4.1.0]heptan-3-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 166245024
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 86985248

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (CID 95759149) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCN([C@H]2CCC[C@@H]2O)CC1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The InChIKey is XRIXBJURQSLWEH-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-15-4-1-3-14(15)20-6-8-21(9-7-20)17(23)13-11-12(18-19-13)16-5-2-10-24-16/h2,5,10-11,14-15,22H,1,3-4,6-9H2,(H,18,19)/t14-,15-/m0/s1.
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 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-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95759149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).