[1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol

C22H32N4O — CID 91795426

IUPAC[1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(CN2CCCC2)CCN(Cc2cccc(Cn3cccn3)c2)CC1
InChIInChI=1S/C22H32N4O/c27-19-22(18-25-10-1-2-11-25)7-13-24(14-8-22)16-20-5-3-6-21(15-20)17-26-12-4-9-23-26/h3-6,9,12,15,27H,1-2,7-8,10-11,13-14,16-19H2
InChIKeyACLKZKJVVQITTR-UHFFFAOYSA-N
MW368.52 g/mol
LogP2.60
Rot. Bonds7

About [1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol

[1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol (PubChem CID 91795426) has the molecular formula C22H32N4O and a molecular weight of 368.52 g/mol. Its IUPAC name is [1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
PubChem CID91795426
Molecular FormulaC22H32N4O
Molecular Weight368.52 g/mol
Exact Mass368.26
IUPAC Name[1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(CN2CCCC2)CCN(Cc2cccc(Cn3cccn3)c2)CC1
InChIInChI=1S/C22H32N4O/c27-19-22(18-25-10-1-2-11-25)7-13-24(14-8-22)16-20-5-3-6-21(15-20)17-26-12-4-9-23-26/h3-6,9,12,15,27H,1-2,7-8,10-11,13-14,16-19H2
InChIKeyACLKZKJVVQITTR-UHFFFAOYSA-N
XLogP2.60
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol with MolForge

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Related Compounds

2-{1-(4-methylbenzyl)-4-[3-(1H-pyrazol-1-yl)propyl]-2-piperazinyl}ethanol
CID 16188653
{3-benzyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16188140
2-[4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-1-(2-phenylethyl)-2-piperazinyl]ethanol
CID 16191709
2-{1-benzyl-4-[3-(1H-pyrazol-1-yl)propyl]-2-piperazinyl}ethanol
CID 16191842
2-{1-(3-methylbutyl)-4-[3-(1H-pyrazol-1-yl)benzyl]-2-piperazinyl}ethanol
CID 16188373
2-[4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 16188292
2-[4-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-1-(2-phenylethyl)-2-piperazinyl]ethanol
CID 16191174
2-[4-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 16191358
1'-[3-(1H-pyrazol-1-ylmethyl)benzyl]-1,4'-bipiperidin-4-ol
CID 50983971
4-[2-(1H-pyrazol-1-yl)ethyl]-1-[3-(1H-pyrazol-1-ylmethyl)benzyl]piperidine
CID 70739734
1-[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone
CID 91922252
Sdccgsbi-0114811.P001
CID 45192921

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol (CID 91795426) is [1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol is OCC1(CN2CCCC2)CCN(Cc2cccc(Cn3cccn3)c2)CC1.
What is the InChIKey of [1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is ACLKZKJVVQITTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c27-19-22(18-25-10-1-2-11-25)7-13-24(14-8-22)16-20-5-3-6-21(15-20)17-26-12-4-9-23-26/h3-6,9,12,15,27H,1-2,7-8,10-11,13-14,16-19H2.
What are the key properties of [1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
[1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 368.52 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 91795426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).