4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride

C14H20ClN3O2 — CID 126964973

IUPAC4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride
SMILESCOc1cc(CNCc2cnn(C)c2C)ccc1O.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-10-12(9-16-17(10)2)8-15-7-11-4-5-13(18)14(6-11)19-3;/h4-6,9,15,18H,7-8H2,1-3H3;1H
InChIKeyVWBWIGFHPBPEFV-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.15
Rot. Bonds5

About 4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride

4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride (PubChem CID 126964973) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride
PubChem CID126964973
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride
SMILESCOc1cc(CNCc2cnn(C)c2C)ccc1O.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-10-12(9-16-17(10)2)8-15-7-11-4-5-13(18)14(6-11)19-3;/h4-6,9,15,18H,7-8H2,1-3H3;1H
InChIKeyVWBWIGFHPBPEFV-UHFFFAOYSA-N
XLogP2.15
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol
CID 103851618
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine
CID 19623119
2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol
CID 103851725
4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]-2-methoxyphenol;hydrochloride
CID 126965332
5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol
CID 19627526
4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]-2-methoxyphenol;hydrochloride
CID 126965279
1-(2,4-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 19623111
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 113338388
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)methanamine;hydrochloride
CID 126964694
1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 19623107
2,6-dibromo-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 106038492
2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol
CID 28664303

Frequently Asked Questions

What is the IUPAC name of 4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride?
The IUPAC name of 4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride (CID 126964973) is 4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride is COc1cc(CNCc2cnn(C)c2C)ccc1O.Cl.
What is the InChIKey of 4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride?
The InChIKey is VWBWIGFHPBPEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-10-12(9-16-17(10)2)8-15-7-11-4-5-13(18)14(6-11)19-3;/h4-6,9,15,18H,7-8H2,1-3H3;1H.
What are the key properties of 4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride?
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride is sourced from PubChem (CID 126964973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).