(3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol

C14H19N3O3 — CID 56891453

IUPAC(3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
SMILESOC[C@H]1CCN(Cc2ccc(-c3ccn[nH]3)o2)C[C@H]1O
InChIInChI=1S/C14H19N3O3/c18-9-10-4-6-17(8-13(10)19)7-11-1-2-14(20-11)12-3-5-15-16-12/h1-3,5,10,13,18-19H,4,6-9H2,(H,15,16)/t10-,13-/m1/s1
InChIKeySOOPYPRZHJQGJS-ZWNOBZJWSA-N
MW277.32 g/mol
LogP0.84
Rot. Bonds4

About (3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol

(3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol (PubChem CID 56891453) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
PubChem CID56891453
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
SMILESOC[C@H]1CCN(Cc2ccc(-c3ccn[nH]3)o2)C[C@H]1O
InChIInChI=1S/C14H19N3O3/c18-9-10-4-6-17(8-13(10)19)7-11-1-2-14(20-11)12-3-5-15-16-12/h1-3,5,10,13,18-19H,4,6-9H2,(H,15,16)/t10-,13-/m1/s1
InChIKeySOOPYPRZHJQGJS-ZWNOBZJWSA-N
XLogP0.84
TPSA85.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol with MolForge

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Related Compounds

(3R,4R)-4-(azepan-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
CID 42286515
[(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol
CID 133132545
(3S,4S)-4-(hydroxymethyl)-1-[(5-propylfuran-2-yl)methyl]piperidin-3-ol
CID 133125674
(3S,4S)-4-cyclopropyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 70742072
4-chloro-1-[(3S)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]pyrazole
CID 164639856
(4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 96574645
ethyl 4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine-1-carboxylate
CID 91786548
[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 50952555
1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one
CID 74231008
1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine
CID 50953242
(1S,5R)-6-(3-methylbut-2-enyl)-3-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70785582
N-[2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]ethyl]acetamide
CID 56717740

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol?
The IUPAC name of (3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol (CID 56891453) is (3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for (3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol is OC[C@H]1CCN(Cc2ccc(-c3ccn[nH]3)o2)C[C@H]1O.
What is the InChIKey of (3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol?
The InChIKey is SOOPYPRZHJQGJS-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-9-10-4-6-17(8-13(10)19)7-11-1-2-14(20-11)12-3-5-15-16-12/h1-3,5,10,13,18-19H,4,6-9H2,(H,15,16)/t10-,13-/m1/s1.
What are the key properties of (3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol?
(3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol has a molecular weight of 277.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 56891453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).