1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine

C14H19N3O — CID 62126496

IUPAC1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCCn1cc(COc2ccccc2CNC)cn1
InChIInChI=1S/C14H19N3O/c1-3-17-10-12(8-16-17)11-18-14-7-5-4-6-13(14)9-15-2/h4-8,10,15H,3,9,11H2,1-2H3
InChIKeyBDOVQMKTGXEHOI-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.20
Rot. Bonds6

About 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine

1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 62126496) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID62126496
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCCn1cc(COc2ccccc2CNC)cn1
InChIInChI=1S/C14H19N3O/c1-3-17-10-12(8-16-17)11-18-14-7-5-4-6-13(14)9-15-2/h4-8,10,15H,3,9,11H2,1-2H3
InChIKeyBDOVQMKTGXEHOI-UHFFFAOYSA-N
XLogP2.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 62126144
2-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 62126855
1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole
CID 64766010
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 62125623
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine
CID 62128091
[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-trifluoroboranuide
CID 63677026
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 78936450
3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol
CID 62125688
[2-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methanol
CID 62127791
N-[[5-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 62126870
4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole
CID 107283989
1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43277189

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine (CID 62126496) is 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine is CCn1cc(COc2ccccc2CNC)cn1.
What is the InChIKey of 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is BDOVQMKTGXEHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-17-10-12(8-16-17)11-18-14-7-5-4-6-13(14)9-15-2/h4-8,10,15H,3,9,11H2,1-2H3.
What are the key properties of 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62126496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).