5-bromo-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]pyridin-3-ol

C12H15BrN4O — CID 138022568

IUPAC5-bromo-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]pyridin-3-ol
SMILESCN(CCn1cccn1)Cc1ncc(Br)cc1O
InChIInChI=1S/C12H15BrN4O/c1-16(5-6-17-4-2-3-15-17)9-11-12(18)7-10(13)8-14-11/h2-4,7-8,18H,5-6,9H2,1H3
InChIKeyAKSMVNFFTBGFSE-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.88
Rot. Bonds5

About 5-bromo-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]pyridin-3-ol

5-bromo-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]pyridin-3-ol (PubChem CID 138022568) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 5-bromo-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-bromo-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]pyridin-3-ol
PubChem CID138022568
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name5-bromo-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]pyridin-3-ol
SMILESCN(CCn1cccn1)Cc1ncc(Br)cc1O
InChIInChI=1S/C12H15BrN4O/c1-16(5-6-17-4-2-3-15-17)9-11-12(18)7-10(13)8-14-11/h2-4,7-8,18H,5-6,9H2,1H3
InChIKeyAKSMVNFFTBGFSE-UHFFFAOYSA-N
XLogP1.88
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]pyridin-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]pyridin-3-ol?
The IUPAC name of 5-bromo-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]pyridin-3-ol (CID 138022568) is 5-bromo-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]pyridin-3-ol.
What is the SMILES notation for 5-bromo-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]pyridin-3-ol?
The canonical SMILES for 5-bromo-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]pyridin-3-ol is CN(CCn1cccn1)Cc1ncc(Br)cc1O.
What is the InChIKey of 5-bromo-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]pyridin-3-ol?
The InChIKey is AKSMVNFFTBGFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-16(5-6-17-4-2-3-15-17)9-11-12(18)7-10(13)8-14-11/h2-4,7-8,18H,5-6,9H2,1H3.
What are the key properties of 5-bromo-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]pyridin-3-ol?
5-bromo-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]pyridin-3-ol has a molecular weight of 311.18 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]pyridin-3-ol is sourced from PubChem (CID 138022568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).