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

C13H18ClN3O2 — CID 126965332

IUPAC4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]-2-methoxyphenol;hydrochloride
SMILESCOc1cc(CNc2c(C)cnn2C)ccc1O.Cl
InChIInChI=1S/C13H17N3O2.ClH/c1-9-7-15-16(2)13(9)14-8-10-4-5-11(17)12(6-10)18-3;/h4-7,14,17H,8H2,1-3H3;1H
InChIKeyOBJQDYWRCJZRES-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.48
Rot. Bonds4

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

4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]-2-methoxyphenol;hydrochloride (PubChem CID 126965332) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]-2-methoxyphenol;hydrochloride
PubChem CID126965332
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]-2-methoxyphenol;hydrochloride
SMILESCOc1cc(CNc2c(C)cnn2C)ccc1O.Cl
InChIInChI=1S/C13H17N3O2.ClH/c1-9-7-15-16(2)13(9)14-8-10-4-5-11(17)12(6-10)18-3;/h4-7,14,17H,8H2,1-3H3;1H
InChIKeyOBJQDYWRCJZRES-UHFFFAOYSA-N
XLogP2.48
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride
CID 126964973
4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]-2-methoxyphenol;hydrochloride
CID 126965279
2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol
CID 28664303
4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]benzene-1,3-diol;hydrochloride
CID 126965069
2-methoxy-4-[(4-methylanilino)methyl]phenol
CID 4093534
2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965311
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol
CID 83320633
4-[(5-bromo-2-methylanilino)methyl]-2-methoxyphenol
CID 43729448
4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol
CID 63333437
4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol
CID 114254373
4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
CID 43743646
4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol
CID 19627604

Frequently Asked Questions

What is the IUPAC name of 4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]-2-methoxyphenol;hydrochloride?
The IUPAC name of 4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]-2-methoxyphenol;hydrochloride (CID 126965332) is 4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]-2-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]-2-methoxyphenol;hydrochloride is COc1cc(CNc2c(C)cnn2C)ccc1O.Cl.
What is the InChIKey of 4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]-2-methoxyphenol;hydrochloride?
The InChIKey is OBJQDYWRCJZRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.ClH/c1-9-7-15-16(2)13(9)14-8-10-4-5-11(17)12(6-10)18-3;/h4-7,14,17H,8H2,1-3H3;1H.
What are the key properties of 4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]-2-methoxyphenol;hydrochloride?
4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]-2-methoxyphenol;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]-2-methoxyphenol;hydrochloride is sourced from PubChem (CID 126965332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).