[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanol

C10H16BrN3O — CID 111442682

IUPAC[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCn2cc(Br)cn2)C1
InChIInChI=1S/C10H16BrN3O/c11-10-5-12-14(7-10)4-3-13-2-1-9(6-13)8-15/h5,7,9,15H,1-4,6,8H2
InChIKeySOZMVEYBISPXBF-UHFFFAOYSA-N
MW274.16 g/mol
LogP0.96
Rot. Bonds4

About [1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanol

[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanol (PubChem CID 111442682) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is [1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanol
PubChem CID111442682
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCn2cc(Br)cn2)C1
InChIInChI=1S/C10H16BrN3O/c11-10-5-12-14(7-10)4-3-13-2-1-9(6-13)8-15/h5,7,9,15H,1-4,6,8H2
InChIKeySOZMVEYBISPXBF-UHFFFAOYSA-N
XLogP0.96
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]methyl]pyrazole
CID 165429536
2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine
CID 62566245
1-[2-(4-bromopyrazol-1-yl)ethyl]-4-imidazol-1-ylpiperidine
CID 75463426
[1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 71650079
3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 111116526
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
N-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 75463411
(1-but-3-ynylpyrrolidin-3-yl)methanol
CID 62372268
[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 92581382
[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 94407935
[1-[5-[(4-bromopyrazol-1-yl)methyl]-1,3-thiazol-2-yl]azetidin-3-yl]methanol
CID 100693533
[(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 97169730

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanol (CID 111442682) is [1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanol is OCC1CCN(CCn2cc(Br)cn2)C1.
What is the InChIKey of [1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanol?
The InChIKey is SOZMVEYBISPXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c11-10-5-12-14(7-10)4-3-13-2-1-9(6-13)8-15/h5,7,9,15H,1-4,6,8H2.
What are the key properties of [1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanol?
[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanol has a molecular weight of 274.16 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 111442682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).