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

C16H23N3O — CID 105351313

IUPAC2-[4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylpropan-1-amine
SMILESCCn1cc(OCc2ccc(C(C)CNC)cc2)cn1
InChIInChI=1S/C16H23N3O/c1-4-19-11-16(10-18-19)20-12-14-5-7-15(8-6-14)13(2)9-17-3/h5-8,10-11,13,17H,4,9,12H2,1-3H3
InChIKeyNYJCQQZQJKRNJU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.80
Rot. Bonds7

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

2-[4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylpropan-1-amine (PubChem CID 105351313) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylpropan-1-amine
PubChem CID105351313
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylpropan-1-amine
SMILESCCn1cc(OCc2ccc(C(C)CNC)cc2)cn1
InChIInChI=1S/C16H23N3O/c1-4-19-11-16(10-18-19)20-12-14-5-7-15(8-6-14)13(2)9-17-3/h5-8,10-11,13,17H,4,9,12H2,1-3H3
InChIKeyNYJCQQZQJKRNJU-UHFFFAOYSA-N
XLogP2.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine
CID 105351322
N-methyl-2-[4-(phenoxymethyl)phenyl]propan-1-amine
CID 105350614
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine
CID 105350603
N-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63063064
2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine
CID 116803166
1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116801665
1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 62125799
4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole
CID 116804533
N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-methylpropan-1-amine
CID 103075164
N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 116803349
6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline
CID 116804581

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 2-[4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylpropan-1-amine (CID 105351313) is 2-[4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylpropan-1-amine is CCn1cc(OCc2ccc(C(C)CNC)cc2)cn1.
What is the InChIKey of 2-[4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylpropan-1-amine?
The InChIKey is NYJCQQZQJKRNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-19-11-16(10-18-19)20-12-14-5-7-15(8-6-14)13(2)9-17-3/h5-8,10-11,13,17H,4,9,12H2,1-3H3.
What are the key properties of 2-[4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylpropan-1-amine?
2-[4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylpropan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 105351313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).