(2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol

C16H28N4O2 — CID 124787969

IUPAC(2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESO[C@H](CN1CCCN(C[C@H]2CCCO2)CC1)Cn1cccn1
InChIInChI=1S/C16H28N4O2/c21-15(13-20-8-2-5-17-20)12-18-6-3-7-19(10-9-18)14-16-4-1-11-22-16/h2,5,8,15-16,21H,1,3-4,6-7,9-14H2/t15-,16-/m1/s1
InChIKeyWWBRNCNPONQIDQ-HZPDHXFCSA-N
MW308.43 g/mol
LogP0.43
Rot. Bonds6

About (2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol

(2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 124787969) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID124787969
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESO[C@H](CN1CCCN(C[C@H]2CCCO2)CC1)Cn1cccn1
InChIInChI=1S/C16H28N4O2/c21-15(13-20-8-2-5-17-20)12-18-6-3-7-19(10-9-18)14-16-4-1-11-22-16/h2,5,8,15-16,21H,1,3-4,6-7,9-14H2/t15-,16-/m1/s1
InChIKeyWWBRNCNPONQIDQ-HZPDHXFCSA-N
XLogP0.43
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol with MolForge

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Related Compounds

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1-[4-(hydroxymethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
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(2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
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(2R)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 98765727
1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol
CID 102538343
(1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol
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(2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
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1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
CID 47053109
(2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol
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(2R)-1-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 124786448
(2S)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol (CID 124787969) is (2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol is O[C@H](CN1CCCN(C[C@H]2CCCO2)CC1)Cn1cccn1.
What is the InChIKey of (2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is WWBRNCNPONQIDQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H28N4O2/c21-15(13-20-8-2-5-17-20)12-18-6-3-7-19(10-9-18)14-16-4-1-11-22-16/h2,5,8,15-16,21H,1,3-4,6-7,9-14H2/t15-,16-/m1/s1.
What are the key properties of (2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol?
(2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 308.43 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 124787969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).