2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol

C16H21N3O — CID 115648302

IUPAC2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(Cc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C16H21N3O/c20-9-7-14-6-8-18(11-14)12-15-10-17-19(13-15)16-4-2-1-3-5-16/h1-5,10,13-14,20H,6-9,11-12H2
InChIKeyDBVFQLIRAXLXCA-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.08
Rot. Bonds5

About 2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol

2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 115648302) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID115648302
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(Cc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C16H21N3O/c20-9-7-14-6-8-18(11-14)12-15-10-17-19(13-15)16-4-2-1-3-5-16/h1-5,10,13-14,20H,6-9,11-12H2
InChIKeyDBVFQLIRAXLXCA-UHFFFAOYSA-N
XLogP2.08
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97124598
2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115883006
3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol
CID 111381422
3-[(1-phenylpyrazol-4-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927302
3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 81450320
N-methyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923189
N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119926338
[(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 95223952
2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 119135361
2-[4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 56855840
N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916715
2-[4-[[(3S)-3-(pyrimidin-2-ylmethyl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]benzoic acid
CID 124939761

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol (CID 115648302) is 2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol is OCCC1CCN(Cc2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of 2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is DBVFQLIRAXLXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-9-7-14-6-8-18(11-14)12-15-10-17-19(13-15)16-4-2-1-3-5-16/h1-5,10,13-14,20H,6-9,11-12H2.
What are the key properties of 2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 271.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115648302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).