1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine

C14H19N3O — CID 55108884

IUPAC1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cnn(Cc2ccccc2OC)c1
InChIInChI=1S/C14H19N3O/c1-11(15-2)13-8-16-17(10-13)9-12-6-4-5-7-14(12)18-3/h4-8,10-11,15H,9H2,1-3H3
InChIKeyLVHZODHPGPJRDS-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.22
Rot. Bonds5

About 1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine

1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine (PubChem CID 55108884) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine
PubChem CID55108884
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cnn(Cc2ccccc2OC)c1
InChIInChI=1S/C14H19N3O/c1-11(15-2)13-8-16-17(10-13)9-12-6-4-5-7-14(12)18-3/h4-8,10-11,15H,9H2,1-3H3
InChIKeyLVHZODHPGPJRDS-UHFFFAOYSA-N
XLogP2.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62730862
1-[1-[(2-bromo-5-fluorophenyl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 62731601
N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 62729600
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 79097214
N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 62730873
N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62729973
1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 51272109
1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
CID 19625854
1-(2,2-difluoroethyl)-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
CID 25247606
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 104794788
1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103673603
1-[1-[(3-bromo-2,6-difluorophenyl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 106272036

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine (CID 55108884) is 1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine is CNC(C)c1cnn(Cc2ccccc2OC)c1.
What is the InChIKey of 1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine?
The InChIKey is LVHZODHPGPJRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(15-2)13-8-16-17(10-13)9-12-6-4-5-7-14(12)18-3/h4-8,10-11,15H,9H2,1-3H3.
What are the key properties of 1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine?
1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 55108884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).