3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol

C18H24N6O2 — CID 128969351

IUPAC3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
SMILESCC(C)n1cc(C2(O)CCCN(Cc3ccc(-c4ccn[nH]4)o3)C2)nn1
InChIInChI=1S/C18H24N6O2/c1-13(2)24-11-17(21-22-24)18(25)7-3-9-23(12-18)10-14-4-5-16(26-14)15-6-8-19-20-15/h4-6,8,11,13,25H,3,7,9-10,12H2,1-2H3,(H,19,20)
InChIKeyKLWPPDVUHQRDND-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.33
Rot. Bonds5

About 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol

3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol (PubChem CID 128969351) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
PubChem CID128969351
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
SMILESCC(C)n1cc(C2(O)CCCN(Cc3ccc(-c4ccn[nH]4)o3)C2)nn1
InChIInChI=1S/C18H24N6O2/c1-13(2)24-11-17(21-22-24)18(25)7-3-9-23(12-18)10-14-4-5-16(26-14)15-6-8-19-20-15/h4-6,8,11,13,25H,3,7,9-10,12H2,1-2H3,(H,19,20)
InChIKeyKLWPPDVUHQRDND-UHFFFAOYSA-N
XLogP2.33
TPSA96.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol with MolForge

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Related Compounds

3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol
CID 154798154
1-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128979140
(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129484807
(3R)-1-[(3-methylimidazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129486298
(3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129483645
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128969366
(3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129483683
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128980356
(3R)-1-(1,3-benzodioxol-4-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129484602
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128980366
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128979187
(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129484561

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol?
The IUPAC name of 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol (CID 128969351) is 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol is CC(C)n1cc(C2(O)CCCN(Cc3ccc(-c4ccn[nH]4)o3)C2)nn1.
What is the InChIKey of 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol?
The InChIKey is KLWPPDVUHQRDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13(2)24-11-17(21-22-24)18(25)7-3-9-23(12-18)10-14-4-5-16(26-14)15-6-8-19-20-15/h4-6,8,11,13,25H,3,7,9-10,12H2,1-2H3,(H,19,20).
What are the key properties of 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol?
3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol has a molecular weight of 356.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-yltriazol-4-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 128969351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).