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

C12H15N3O2 — CID 19627588

IUPAC4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
SMILESCc1nn(C)cc1NCc1ccc(O)cc1O
InChIInChI=1S/C12H15N3O2/c1-8-11(7-15(2)14-8)13-6-9-3-4-10(16)5-12(9)17/h3-5,7,13,16-17H,6H2,1-2H3
InChIKeySKVXXCVZARSWFM-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.75
Rot. Bonds3

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

4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol (PubChem CID 19627588) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
PubChem CID19627588
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
SMILESCc1nn(C)cc1NCc1ccc(O)cc1O
InChIInChI=1S/C12H15N3O2/c1-8-11(7-15(2)14-8)13-6-9-3-4-10(16)5-12(9)17/h3-5,7,13,16-17H,6H2,1-2H3
InChIKeySKVXXCVZARSWFM-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

4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 122168384
N-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 106863330
1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol
CID 104954359
5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol
CID 165478717
4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol
CID 19627587
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 171156653
4-[(2-hydroxyanilino)methyl]benzene-1,3-diol
CID 21321428
N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866854
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-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol
CID 104954462
3-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103269043

Frequently Asked Questions

What is the IUPAC name of 4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol (CID 19627588) is 4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol is Cc1nn(C)cc1NCc1ccc(O)cc1O.
What is the InChIKey of 4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol?
The InChIKey is SKVXXCVZARSWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-11(7-15(2)14-8)13-6-9-3-4-10(16)5-12(9)17/h3-5,7,13,16-17H,6H2,1-2H3.
What are the key properties of 4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol?
4-[[(1,3-dimethylpyrazol-4-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-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol is sourced from PubChem (CID 19627588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).