1-[(4-bromo-1H-pyrazol-5-yl)methyl]pyrrolidin-3-ol

C8H12BrN3O — CID 167788383

IUPAC1-[(4-bromo-1H-pyrazol-5-yl)methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2[nH]ncc2Br)C1
InChIInChI=1S/C8H12BrN3O/c9-7-3-10-11-8(7)5-12-2-1-6(13)4-12/h3,6,13H,1-2,4-5H2,(H,10,11)
InChIKeyWQXBYZRVKUYMQR-UHFFFAOYSA-N
MW246.11 g/mol
LogP0.74
Rot. Bonds2

About 1-[(4-bromo-1H-pyrazol-5-yl)methyl]pyrrolidin-3-ol

1-[(4-bromo-1H-pyrazol-5-yl)methyl]pyrrolidin-3-ol (PubChem CID 167788383) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 1-[(4-bromo-1H-pyrazol-5-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4-bromo-1H-pyrazol-5-yl)methyl]pyrrolidin-3-ol
PubChem CID167788383
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name1-[(4-bromo-1H-pyrazol-5-yl)methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2[nH]ncc2Br)C1
InChIInChI=1S/C8H12BrN3O/c9-7-3-10-11-8(7)5-12-2-1-6(13)4-12/h3,6,13H,1-2,4-5H2,(H,10,11)
InChIKeyWQXBYZRVKUYMQR-UHFFFAOYSA-N
XLogP0.74
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromo-1H-pyrazol-5-yl)methyl]-3-methylsulfonylpiperidine
CID 138018507
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
(3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 130576098
(3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol
CID 103917970
(3S)-1-[(3-bromo-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103917989
(3S)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103882994
1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol
CID 62941685
(3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 103882978
1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 62917165
(3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
CID 111462016
(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 79673830
1-[(4-bromo-2,3,5,6-tetrafluorophenyl)methyl]pyrrolidin-3-ol
CID 122152705

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1H-pyrazol-5-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(4-bromo-1H-pyrazol-5-yl)methyl]pyrrolidin-3-ol (CID 167788383) is 1-[(4-bromo-1H-pyrazol-5-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(4-bromo-1H-pyrazol-5-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(4-bromo-1H-pyrazol-5-yl)methyl]pyrrolidin-3-ol is OC1CCN(Cc2[nH]ncc2Br)C1.
What is the InChIKey of 1-[(4-bromo-1H-pyrazol-5-yl)methyl]pyrrolidin-3-ol?
The InChIKey is WQXBYZRVKUYMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c9-7-3-10-11-8(7)5-12-2-1-6(13)4-12/h3,6,13H,1-2,4-5H2,(H,10,11).
What are the key properties of 1-[(4-bromo-1H-pyrazol-5-yl)methyl]pyrrolidin-3-ol?
1-[(4-bromo-1H-pyrazol-5-yl)methyl]pyrrolidin-3-ol has a molecular weight of 246.11 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1H-pyrazol-5-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 167788383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).