1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol

C16H28N4O — CID 120855183

IUPAC1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol
SMILESCn1cc(C(O)CC2CCCN2CC2CCCNC2)cn1
InChIInChI=1S/C16H28N4O/c1-19-12-14(10-18-19)16(21)8-15-5-3-7-20(15)11-13-4-2-6-17-9-13/h10,12-13,15-17,21H,2-9,11H2,1H3
InChIKeyZLWZZPBGBSHZDW-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.31
Rot. Bonds5

About 1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol

1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol (PubChem CID 120855183) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol
PubChem CID120855183
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol
SMILESCn1cc(C(O)CC2CCCN2CC2CCCNC2)cn1
InChIInChI=1S/C16H28N4O/c1-19-12-14(10-18-19)16(21)8-15-5-3-7-20(15)11-13-4-2-6-17-9-13/h10,12-13,15-17,21H,2-9,11H2,1H3
InChIKeyZLWZZPBGBSHZDW-UHFFFAOYSA-N
XLogP1.31
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-1-(1-methylpyrazol-4-yl)ethanol
CID 61088408
(3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine
CID 130522112
(1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol
CID 124734701
(1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
CID 124735348
(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124814973
4-[2-hydroxy-3-[2-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-1-yl]propoxy]-3,5-dimethylbenzonitrile
CID 166310151
3-[[4-(difluoromethyl)pyrazol-1-yl]methyl]piperidine
CID 84734904
(2S)-N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-2-(1-methylpyrazol-4-yl)acetamide
CID 124846261
(1R)-2-[(2S)-1-[3-(1,3-benzodioxol-5-yloxy)propyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
CID 99780536
1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone
CID 116564116
2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane
CID 114086520
1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone
CID 120854199

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol (CID 120855183) is 1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol is Cn1cc(C(O)CC2CCCN2CC2CCCNC2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol?
The InChIKey is ZLWZZPBGBSHZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-19-12-14(10-18-19)16(21)8-15-5-3-7-20(15)11-13-4-2-6-17-9-13/h10,12-13,15-17,21H,2-9,11H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol?
1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol has a molecular weight of 292.43 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 120855183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).