N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine

C17H25N3O — CID 116803349

IUPACN-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCn1cc(OCc2cccc(CNC(C)(C)C)c2)cn1
InChIInChI=1S/C17H25N3O/c1-5-20-12-16(11-19-20)21-13-15-8-6-7-14(9-15)10-18-17(2,3)4/h6-9,11-12,18H,5,10,13H2,1-4H3
InChIKeyNPAQJCFGIJGHOW-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.37
Rot. Bonds6

About N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine

N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 116803349) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID116803349
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCn1cc(OCc2cccc(CNC(C)(C)C)c2)cn1
InChIInChI=1S/C17H25N3O/c1-5-20-12-16(11-19-20)21-13-15-8-6-7-14(9-15)10-18-17(2,3)4/h6-9,11-12,18H,5,10,13H2,1-4H3
InChIKeyNPAQJCFGIJGHOW-UHFFFAOYSA-N
XLogP3.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethylpyrazol-4-yl)oxymethyl]benzoic acid
CID 116800034
N-[[2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116802810
N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 116802125
2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]propan-2-amine
CID 62440301
N-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116802121
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
N-[[3-[2-(1-ethylpyrazol-4-yl)oxyethoxy]phenyl]methyl]ethanamine
CID 116803276
N-[[2-(1-ethylpyrazol-4-yl)oxy-6-methyl-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116802838
6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline
CID 116804581
1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole
CID 64764003
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole
CID 116804533

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine (CID 116803349) is N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine is CCn1cc(OCc2cccc(CNC(C)(C)C)c2)cn1.
What is the InChIKey of N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is NPAQJCFGIJGHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-20-12-16(11-19-20)21-13-15-8-6-7-14(9-15)10-18-17(2,3)4/h6-9,11-12,18H,5,10,13H2,1-4H3.
What are the key properties of N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 116803349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).