5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol

C8H12BrN3O — CID 117232255

IUPAC5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol
SMILESOc1cnn(CC2CCCN2)c1Br
InChIInChI=1S/C8H12BrN3O/c9-8-7(13)4-11-12(8)5-6-2-1-3-10-6/h4,6,10,13H,1-3,5H2
InChIKeyHJZPTOCWDPHMNE-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.10
Rot. Bonds2

About 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol

5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol (PubChem CID 117232255) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol.

Molecular Properties

Compound Name5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol
PubChem CID117232255
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol
SMILESOc1cnn(CC2CCCN2)c1Br
InChIInChI=1S/C8H12BrN3O/c9-8-7(13)4-11-12(8)5-6-2-1-3-10-6/h4,6,10,13H,1-3,5H2
InChIKeyHJZPTOCWDPHMNE-UHFFFAOYSA-N
XLogP1.10
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-1-(piperidin-2-ylmethyl)pyrazole-5-carboxylic acid
CID 117232341
7-bromo-1-(pyrrolidin-2-ylmethyl)indazole
CID 84811810
5-bromo-1-[(1,1-dioxothiolan-2-yl)methyl]pyrazol-4-ol
CID 117232265
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
5-bromo-1-(oxan-3-ylmethyl)pyrazol-4-ol
CID 117232366
4-(3-bromo-4-methylphenyl)-5-methyl-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 84609990
5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one
CID 114395863
6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole
CID 86203454
2-[(5-chlorotriazol-1-yl)methyl]piperidine
CID 84776015
5-fluoro-1-(piperidin-2-ylmethyl)indazole
CID 84796127
5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 117232233
3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one
CID 102548974

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol?
The IUPAC name of 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol (CID 117232255) is 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol.
What is the SMILES notation for 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol?
The canonical SMILES for 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol is Oc1cnn(CC2CCCN2)c1Br.
What is the InChIKey of 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol?
The InChIKey is HJZPTOCWDPHMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c9-8-7(13)4-11-12(8)5-6-2-1-3-10-6/h4,6,10,13H,1-3,5H2.
What are the key properties of 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol?
5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol has a molecular weight of 246.11 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol is sourced from PubChem (CID 117232255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).