[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol

C18H21N3O2S — CID 50952555

IUPAC[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
SMILESOC(c1cccs1)C1CCN(Cc2ccc(-c3ccn[nH]3)o2)CC1
InChIInChI=1S/C18H21N3O2S/c22-18(17-2-1-11-24-17)13-6-9-21(10-7-13)12-14-3-4-16(23-14)15-5-8-19-20-15/h1-5,8,11,13,18,22H,6-7,9-10,12H2,(H,19,20)
InChIKeyAXQLHADFIWSYQR-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.68
Rot. Bonds5

About [1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol

[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol (PubChem CID 50952555) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is [1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Name[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
PubChem CID50952555
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
SMILESOC(c1cccs1)C1CCN(Cc2ccc(-c3ccn[nH]3)o2)CC1
InChIInChI=1S/C18H21N3O2S/c22-18(17-2-1-11-24-17)13-6-9-21(10-7-13)12-14-3-4-16(23-14)15-5-8-19-20-15/h1-5,8,11,13,18,22H,6-7,9-10,12H2,(H,19,20)
InChIKeyAXQLHADFIWSYQR-UHFFFAOYSA-N
XLogP3.68
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol with MolForge

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Related Compounds

(3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
CID 56891453
ethyl 4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine-1-carboxylate
CID 91786548
(R)-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 95128111
[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 135106200
1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine
CID 50953242
[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 131904673
[1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 45207551
(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 26407832
1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56912885
(4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 96574645
2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 97155043
1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one
CID 74231008

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
The IUPAC name of [1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol (CID 50952555) is [1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol.
What is the SMILES notation for [1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
The canonical SMILES for [1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol is OC(c1cccs1)C1CCN(Cc2ccc(-c3ccn[nH]3)o2)CC1.
What is the InChIKey of [1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
The InChIKey is AXQLHADFIWSYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-18(17-2-1-11-24-17)13-6-9-21(10-7-13)12-14-3-4-16(23-14)15-5-8-19-20-15/h1-5,8,11,13,18,22H,6-7,9-10,12H2,(H,19,20).
What are the key properties of [1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol has a molecular weight of 343.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol is sourced from PubChem (CID 50952555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).