2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol

C21H27N5O — CID 126444321

IUPAC2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
SMILESOCCn1ccc([C@@H]2CCCN(Cc3ccccc3Cn3cccn3)C2)n1
InChIInChI=1S/C21H27N5O/c27-14-13-25-12-8-21(23-25)20-7-3-10-24(16-20)15-18-5-1-2-6-19(18)17-26-11-4-9-22-26/h1-2,4-6,8-9,11-12,20,27H,3,7,10,13-17H2/t20-/m1/s1
InChIKeyWXXBKMLRYJOTKN-HXUWFJFHSA-N
MW365.48 g/mol
LogP2.50
Rot. Bonds7

About 2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol

2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol (PubChem CID 126444321) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
PubChem CID126444321
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
SMILESOCCn1ccc([C@@H]2CCCN(Cc3ccccc3Cn3cccn3)C2)n1
InChIInChI=1S/C21H27N5O/c27-14-13-25-12-8-21(23-25)20-7-3-10-24(16-20)15-18-5-1-2-6-19(18)17-26-11-4-9-22-26/h1-2,4-6,8-9,11-12,20,27H,3,7,10,13-17H2/t20-/m1/s1
InChIKeyWXXBKMLRYJOTKN-HXUWFJFHSA-N
XLogP2.50
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
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2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol
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2-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol
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2-[3-[1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
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2-[3-[1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119072407
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2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126429690
2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol
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2-[3-[(3S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol (CID 126444321) is 2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol is OCCn1ccc([C@@H]2CCCN(Cc3ccccc3Cn3cccn3)C2)n1.
What is the InChIKey of 2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
The InChIKey is WXXBKMLRYJOTKN-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27N5O/c27-14-13-25-12-8-21(23-25)20-7-3-10-24(16-20)15-18-5-1-2-6-19(18)17-26-11-4-9-22-26/h1-2,4-6,8-9,11-12,20,27H,3,7,10,13-17H2/t20-/m1/s1.
What are the key properties of 2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol has a molecular weight of 365.48 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 126444321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).