2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol

C18H32N4O — CID 70767261

IUPAC2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1CCC(C(C)N2CCCC2)CC1
InChIInChI=1S/C18H32N4O/c1-15-18(14-22(19-15)11-12-23)13-20-9-5-17(6-10-20)16(2)21-7-3-4-8-21/h14,16-17,23H,3-13H2,1-2H3
InChIKeyIGTPURTXRKGYGA-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.88
Rot. Bonds6

About 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol

2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol (PubChem CID 70767261) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
PubChem CID70767261
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1CCC(C(C)N2CCCC2)CC1
InChIInChI=1S/C18H32N4O/c1-15-18(14-22(19-15)11-12-23)13-20-9-5-17(6-10-20)16(2)21-7-3-4-8-21/h14,16-17,23H,3-13H2,1-2H3
InChIKeyIGTPURTXRKGYGA-UHFFFAOYSA-N
XLogP1.88
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

1'-{[1-(2-hydroxyethyl)-3-methyl-1H-pyrazol-4-yl]methyl}-1,4'-bipiperidin-4-ol
CID 70737725
2-{4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-3-methyl-1H-pyrazol-1-yl}ethanol
CID 70778501
1-[4-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 72141014
1-[1-[(1,5-Dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 53193291
((3S,4S)-4-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-piperidyl}tetrahydro-1H-pyrrol-3-yl)methanol
CID 91910140
{(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-4-pyridinyl}methanol
CID 91920881
4-[1-[(1-Ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-methylpiperidine
CID 91921270
2-[(2S)-1-(cyclohexylmethyl)-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 28768981
1-(4-Methylpiperidin-1-yl)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 53594315
2-{3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]-1H-pyrazol-1-yl}ethanol
CID 77091141
(3S*,4S*)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol
CID 77091611
(1-{1-[(1-Ethyl-5-methyl-1H-pyrazol-4-YL)methyl]piperidin-4-YL}-4,4-difluoropyrrolidin-2-YL)methanol
CID 124051149

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol (CID 70767261) is 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)cc1CN1CCC(C(C)N2CCCC2)CC1.
What is the InChIKey of 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The InChIKey is IGTPURTXRKGYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-15-18(14-22(19-15)11-12-23)13-20-9-5-17(6-10-20)16(2)21-7-3-4-8-21/h14,16-17,23H,3-13H2,1-2H3.
What are the key properties of 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol has a molecular weight of 320.48 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 70767261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).