4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol

C12H15N3O2 — CID 19627587

IUPAC4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol
SMILESCc1cc(NCc2ccc(O)cc2O)nn1C
InChIInChI=1S/C12H15N3O2/c1-8-5-12(14-15(8)2)13-7-9-3-4-10(16)6-11(9)17/h3-6,16-17H,7H2,1-2H3,(H,13,14)
InChIKeyCMZOEUXHCJXRKQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.75
Rot. Bonds3

About 4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol

4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol (PubChem CID 19627587) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol
PubChem CID19627587
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol
SMILESCc1cc(NCc2ccc(O)cc2O)nn1C
InChIInChI=1S/C12H15N3O2/c1-8-5-12(14-15(8)2)13-7-9-3-4-10(16)6-11(9)17/h3-6,16-17H,7H2,1-2H3,(H,13,14)
InChIKeyCMZOEUXHCJXRKQ-UHFFFAOYSA-N
XLogP1.75
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]-4-methylphenol
CID 113290187
N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 115751708
4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 19627588
4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]benzene-1,3-diol;hydrochloride
CID 126965069
N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 115876966
1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122167521
N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 113349771
4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 122168384
4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]-2-methoxyphenol;hydrochloride
CID 126965279
4-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 122168604
4-[[[1-(2-fluoroethyl)-4-methylpyrazol-3-yl]amino]methyl]benzene-1,3-diol
CID 122168337
2-[[(1-butyl-5-methylpyrazol-3-yl)amino]methyl]phenol
CID 19627572

Frequently Asked Questions

What is the IUPAC name of 4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol (CID 19627587) is 4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol is Cc1cc(NCc2ccc(O)cc2O)nn1C.
What is the InChIKey of 4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol?
The InChIKey is CMZOEUXHCJXRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-5-12(14-15(8)2)13-7-9-3-4-10(16)6-11(9)17/h3-6,16-17H,7H2,1-2H3,(H,13,14).
What are the key properties of 4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol?
4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol has a molecular weight of 233.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol is sourced from PubChem (CID 19627587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).