5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol

C15H21N3O2 — CID 19627526

IUPAC5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol
SMILESCCn1ncc(CNCc2ccc(OC)c(O)c2)c1C
InChIInChI=1S/C15H21N3O2/c1-4-18-11(2)13(10-17-18)9-16-8-12-5-6-15(20-3)14(19)7-12/h5-7,10,16,19H,4,8-9H2,1-3H3
InChIKeyORHKYQKUUUPTLL-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.22
Rot. Bonds6

About 5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol

5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol (PubChem CID 19627526) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol
PubChem CID19627526
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol
SMILESCCn1ncc(CNCc2ccc(OC)c(O)c2)c1C
InChIInChI=1S/C15H21N3O2/c1-4-18-11(2)13(10-17-18)9-16-8-12-5-6-15(20-3)14(19)7-12/h5-7,10,16,19H,4,8-9H2,1-3H3
InChIKeyORHKYQKUUUPTLL-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]ethanamine
CID 19619312
3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627475
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride
CID 126964973
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 19618954
5-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol
CID 115885619
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol
CID 103851618
5-[(2-ethylbutylamino)methyl]-2-methoxyphenol
CID 83295597
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine
CID 19623119
2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol
CID 86812024
2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one
CID 106548508
N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine
CID 19625048
N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)ethanamine
CID 19625214

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol (CID 19627526) is 5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol is CCn1ncc(CNCc2ccc(OC)c(O)c2)c1C.
What is the InChIKey of 5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol?
The InChIKey is ORHKYQKUUUPTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-18-11(2)13(10-17-18)9-16-8-12-5-6-15(20-3)14(19)7-12/h5-7,10,16,19H,4,8-9H2,1-3H3.
What are the key properties of 5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol?
5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol has a molecular weight of 275.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 19627526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).