2-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]phenol

C12H15N3O — CID 19576832

IUPAC2-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]phenol
SMILESCc1c(NCc2ccccc2O)cnn1C
InChIInChI=1S/C12H15N3O/c1-9-11(8-14-15(9)2)13-7-10-5-3-4-6-12(10)16/h3-6,8,13,16H,7H2,1-2H3
InChIKeyODMZOMYJLBRKMY-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.05
Rot. Bonds3

About 2-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]phenol

2-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]phenol (PubChem CID 19576832) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]phenol
PubChem CID19576832
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]phenol
SMILESCc1c(NCc2ccccc2O)cnn1C
InChIInChI=1S/C12H15N3O/c1-9-11(8-14-15(9)2)13-7-10-5-3-4-6-12(10)16/h3-6,8,13,16H,7H2,1-2H3
InChIKeyODMZOMYJLBRKMY-UHFFFAOYSA-N
XLogP2.05
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]phenol?
The IUPAC name of 2-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]phenol (CID 19576832) is 2-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]phenol is Cc1c(NCc2ccccc2O)cnn1C.
What is the InChIKey of 2-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]phenol?
The InChIKey is ODMZOMYJLBRKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-11(8-14-15(9)2)13-7-10-5-3-4-6-12(10)16/h3-6,8,13,16H,7H2,1-2H3.
What are the key properties of 2-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]phenol?
2-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]phenol has a molecular weight of 217.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]phenol is sourced from PubChem (CID 19576832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).