2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol

C17H25N3O2 — CID 126431614

IUPAC2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol
SMILESOCCn1ccc([C@H]2CCCN(CCCc3ccco3)C2)n1
InChIInChI=1S/C17H25N3O2/c21-12-11-20-10-7-17(18-20)15-4-1-8-19(14-15)9-2-5-16-6-3-13-22-16/h3,6-7,10,13,15,21H,1-2,4-5,8-9,11-12,14H2/t15-/m0/s1
InChIKeyVPALXDDBLIDHQW-HNNXBMFYSA-N
MW303.41 g/mol
LogP2.28
Rot. Bonds7

About 2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol

2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol (PubChem CID 126431614) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol
PubChem CID126431614
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol
SMILESOCCn1ccc([C@H]2CCCN(CCCc3ccco3)C2)n1
InChIInChI=1S/C17H25N3O2/c21-12-11-20-10-7-17(18-20)15-4-1-8-19(14-15)9-2-5-16-6-3-13-22-16/h3,6-7,10,13,15,21H,1-2,4-5,8-9,11-12,14H2/t15-/m0/s1
InChIKeyVPALXDDBLIDHQW-HNNXBMFYSA-N
XLogP2.28
TPSA54.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol
CID 119064478
4-[[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]benzoic acid
CID 126443440
2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126444321
2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol
CID 119060144
2-[3-[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126435985
2-[3-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119064256
2-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol
CID 119071846
1-[3-(furan-2-yl)propyl]piperidine
CID 162740839
2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126439547
2-[3-[(3S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126429945
2-[3-[(3S)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126437286
2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126429690

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol (CID 126431614) is 2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol is OCCn1ccc([C@H]2CCCN(CCCc3ccco3)C2)n1.
What is the InChIKey of 2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
The InChIKey is VPALXDDBLIDHQW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-12-11-20-10-7-17(18-20)15-4-1-8-19(14-15)9-2-5-16-6-3-13-22-16/h3,6-7,10,13,15,21H,1-2,4-5,8-9,11-12,14H2/t15-/m0/s1.
What are the key properties of 2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol has a molecular weight of 303.41 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 126431614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).