2-[4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol

C18H25N3O — CID 126432648

IUPAC2-[4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol
SMILESC[C@@H](c1ccc(-c2cnn(CCO)c2)cc1)N1CCCCC1
InChIInChI=1S/C18H25N3O/c1-15(20-9-3-2-4-10-20)16-5-7-17(8-6-16)18-13-19-21(14-18)11-12-22/h5-8,13-15,22H,2-4,9-12H2,1H3/t15-/m0/s1
InChIKeyAQYCKNOSFVTSAE-HNNXBMFYSA-N
MW299.42 g/mol
LogP3.09
Rot. Bonds5

About 2-[4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol

2-[4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol (PubChem CID 126432648) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol
PubChem CID126432648
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-[4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol
SMILESC[C@@H](c1ccc(-c2cnn(CCO)c2)cc1)N1CCCCC1
InChIInChI=1S/C18H25N3O/c1-15(20-9-3-2-4-10-20)16-5-7-17(8-6-16)18-13-19-21(14-18)11-12-22/h5-8,13-15,22H,2-4,9-12H2,1H3/t15-/m0/s1
InChIKeyAQYCKNOSFVTSAE-HNNXBMFYSA-N
XLogP3.09
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Fezolamine
CID 54567
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
2-{1-(4-methylbenzyl)-4-[3-(1H-pyrazol-1-yl)propyl]-2-piperazinyl}ethanol
CID 16188653
1-Benzyl-4-(5-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 9949442
{3-benzyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16188140
[1-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-4-(3-phenylpropyl)-4-piperidinyl]methanol
CID 16188178
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
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
4-(1-tert-butyl-1H-pyrazol-4-yl)-1-(2-phenylethyl)-1,2,3,6-tetrahydropyridine
CID 50981214
1-[[1-Propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol
CID 155534366
2-[4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 16188292

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol (CID 126432648) is 2-[4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol is C[C@@H](c1ccc(-c2cnn(CCO)c2)cc1)N1CCCCC1.
What is the InChIKey of 2-[4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol?
The InChIKey is AQYCKNOSFVTSAE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-15(20-9-3-2-4-10-20)16-5-7-17(8-6-16)18-13-19-21(14-18)11-12-22/h5-8,13-15,22H,2-4,9-12H2,1H3/t15-/m0/s1.
What are the key properties of 2-[4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol?
2-[4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol has a molecular weight of 299.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 126432648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).