4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol

C15H21N3O2 — CID 103851618

IUPAC4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol
SMILESCCOc1cc(CNCc2cnn(C)c2C)ccc1O
InChIInChI=1S/C15H21N3O2/c1-4-20-15-7-12(5-6-14(15)19)8-16-9-13-10-17-18(3)11(13)2/h5-7,10,16,19H,4,8-9H2,1-3H3
InChIKeyQBQNRVCXGIIHNK-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.12
Rot. Bonds6

About 4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol

4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol (PubChem CID 103851618) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol
PubChem CID103851618
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol
SMILESCCOc1cc(CNCc2cnn(C)c2C)ccc1O
InChIInChI=1S/C15H21N3O2/c1-4-20-15-7-12(5-6-14(15)19)8-16-9-13-10-17-18(3)11(13)2/h5-7,10,16,19H,4,8-9H2,1-3H3
InChIKeyQBQNRVCXGIIHNK-UHFFFAOYSA-N
XLogP2.12
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.12
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
2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol
CID 103859268
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-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
CID 60735183
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 113338388
2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
2-ethoxy-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
CID 43535020
2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol
CID 60960431
2,6-dibromo-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 106038492
1-(3-chloro-4-fluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 79578574
2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 55081400

Frequently Asked Questions

What is the IUPAC name of 4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol?
The IUPAC name of 4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol (CID 103851618) is 4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol is CCOc1cc(CNCc2cnn(C)c2C)ccc1O.
What is the InChIKey of 4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol?
The InChIKey is QBQNRVCXGIIHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-20-15-7-12(5-6-14(15)19)8-16-9-13-10-17-18(3)11(13)2/h5-7,10,16,19H,4,8-9H2,1-3H3.
What are the key properties of 4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol?
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol has a molecular weight of 275.35 g/mol, XLogP of 2.12, 6 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-ethoxyphenol is sourced from PubChem (CID 103851618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).