[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol

C19H34N4O — CID 91770286

IUPAC[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
SMILESCC(C)Cc1cc(CN2CCC(CO)(CN3CCCC3)CC2)[nH]n1
InChIInChI=1S/C19H34N4O/c1-16(2)11-17-12-18(21-20-17)13-22-9-5-19(15-24,6-10-22)14-23-7-3-4-8-23/h12,16,24H,3-11,13-15H2,1-2H3,(H,20,21)
InChIKeyLBDUJMMZHNKEFT-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.28
Rot. Bonds7

About [1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol

[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol (PubChem CID 91770286) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is [1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
PubChem CID91770286
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
SMILESCC(C)Cc1cc(CN2CCC(CO)(CN3CCCC3)CC2)[nH]n1
InChIInChI=1S/C19H34N4O/c1-16(2)11-17-12-18(21-20-17)13-22-9-5-19(15-24,6-10-22)14-23-7-3-4-8-23/h12,16,24H,3-11,13-15H2,1-2H3,(H,20,21)
InChIKeyLBDUJMMZHNKEFT-UHFFFAOYSA-N
XLogP2.28
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol with MolForge

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Related Compounds

2-[4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16189865
2-[4-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16190318
2-{1-cyclopentyl-4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl}ethanol
CID 16190729
2-{1-isopropyl-4-[(3-methyl-1H-pyrazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 45218135
2-{1-(3-methyl-2-buten-1-yl)-4-[(3-methyl-1H-pyrazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 45222193
2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol
CID 29216590
(3S*,4S*)-1-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 56705116
(3S*,4S*)-1-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-4-(4,4-difluoro-1-piperidinyl)-3-pyrrolidinol
CID 56899816
{(3R*,4R*)-4-(azepan-1-ylmethyl)-1-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl}methanol
CID 70723276
(1R*,3S*)-7-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-7-azaspiro[3.5]nonane-1,3-diol
CID 70768642
(3S*,4S*)-1-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-4-methylpiperidine-3,4-diol
CID 72934641
(2R)-2-(3-methoxypropyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine
CID 96369008

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol (CID 91770286) is [1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol is CC(C)Cc1cc(CN2CCC(CO)(CN3CCCC3)CC2)[nH]n1.
What is the InChIKey of [1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is LBDUJMMZHNKEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-16(2)11-17-12-18(21-20-17)13-22-9-5-19(15-24,6-10-22)14-23-7-3-4-8-23/h12,16,24H,3-11,13-15H2,1-2H3,(H,20,21).
What are the key properties of [1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 334.51 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 91770286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).