2-methyl-6-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol

C15H21N3O — CID 112554596

IUPAC2-methyl-6-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol
SMILESCc1cccc(CNCc2c(C)nn(C)c2C)c1O
InChIInChI=1S/C15H21N3O/c1-10-6-5-7-13(15(10)19)8-16-9-14-11(2)17-18(4)12(14)3/h5-7,16,19H,8-9H2,1-4H3
InChIKeyNTBNEWKESGNRAF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.34
Rot. Bonds4

About 2-methyl-6-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol

2-methyl-6-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol (PubChem CID 112554596) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methyl-6-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol
PubChem CID112554596
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methyl-6-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol
SMILESCc1cccc(CNCc2c(C)nn(C)c2C)c1O
InChIInChI=1S/C15H21N3O/c1-10-6-5-7-13(15(10)19)8-16-9-14-11(2)17-18(4)12(14)3/h5-7,16,19H,8-9H2,1-4H3
InChIKeyNTBNEWKESGNRAF-UHFFFAOYSA-N
XLogP2.34
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.34
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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Related Compounds

N-[(2,3-dimethylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 86812510
4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 78963860
2-methyl-6-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol
CID 112554978
N-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 78989578
1-(2-prop-2-enoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 78989678
1-(2,5-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79006355
2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 115603366
1-pyridin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28670467
2-methyl-1-[(2-methylphenyl)methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111785880
1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28738492
2-chloro-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 78960630
1-(2-bromo-4-fluorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 78971573

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol?
The IUPAC name of 2-methyl-6-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol (CID 112554596) is 2-methyl-6-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2-methyl-6-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol?
The canonical SMILES for 2-methyl-6-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol is Cc1cccc(CNCc2c(C)nn(C)c2C)c1O.
What is the InChIKey of 2-methyl-6-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol?
The InChIKey is NTBNEWKESGNRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-6-5-7-13(15(10)19)8-16-9-14-11(2)17-18(4)12(14)3/h5-7,16,19H,8-9H2,1-4H3.
What are the key properties of 2-methyl-6-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol?
2-methyl-6-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol has a molecular weight of 259.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol is sourced from PubChem (CID 112554596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).