2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol

C11H12BrN3O2 — CID 43540114

IUPAC2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol
SMILESCOc1cc(CNc2cn[nH]c2)cc(Br)c1O
InChIInChI=1S/C11H12BrN3O2/c1-17-10-3-7(2-9(12)11(10)16)4-13-8-5-14-15-6-8/h2-3,5-6,13,16H,4H2,1H3,(H,14,15)
InChIKeyNQVPXVYDDKZOLE-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.50
Rot. Bonds4

About 2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol

2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol (PubChem CID 43540114) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol
PubChem CID43540114
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol
SMILESCOc1cc(CNc2cn[nH]c2)cc(Br)c1O
InChIInChI=1S/C11H12BrN3O2/c1-17-10-3-7(2-9(12)11(10)16)4-13-8-5-14-15-6-8/h2-3,5-6,13,16H,4H2,1H3,(H,14,15)
InChIKeyNQVPXVYDDKZOLE-UHFFFAOYSA-N
XLogP2.50
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol 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

2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol
CID 28722263
2-bromo-4-[(4-ethoxyanilino)methyl]-6-methoxyphenol
CID 29041411
2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol
CID 107700951
2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
CID 115671303
2-bromo-6-methoxy-4-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]phenol
CID 54884828
2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol
CID 83078315
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-chlorobenzonitrile
CID 43686817
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-fluorobenzonitrile
CID 62316969
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851086
2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol
CID 103909123
2-bromo-4-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-6-methoxyphenol
CID 4212879
2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol
CID 82709629

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol (CID 43540114) is 2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol is COc1cc(CNc2cn[nH]c2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol?
The InChIKey is NQVPXVYDDKZOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-17-10-3-7(2-9(12)11(10)16)4-13-8-5-14-15-6-8/h2-3,5-6,13,16H,4H2,1H3,(H,14,15).
What are the key properties of 2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol?
2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol has a molecular weight of 298.14 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol is sourced from PubChem (CID 43540114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).