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

C13H17N3O2 — CID 117230198

IUPAC1-[1-(2-methoxyphenyl)pyrazol-4-yl]oxy-N-methylethanamine
SMILESCNC(C)Oc1cnn(-c2ccccc2OC)c1
InChIInChI=1S/C13H17N3O2/c1-10(14-2)18-11-8-15-16(9-11)12-6-4-5-7-13(12)17-3/h4-10,14H,1-3H3
InChIKeyUTXZUFYYXVQTRU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.83
Rot. Bonds5

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

1-[1-(2-methoxyphenyl)pyrazol-4-yl]oxy-N-methylethanamine (PubChem CID 117230198) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[1-(2-methoxyphenyl)pyrazol-4-yl]oxy-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(2-methoxyphenyl)pyrazol-4-yl]oxy-N-methylethanamine
PubChem CID117230198
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[1-(2-methoxyphenyl)pyrazol-4-yl]oxy-N-methylethanamine
SMILESCNC(C)Oc1cnn(-c2ccccc2OC)c1
InChIInChI=1S/C13H17N3O2/c1-10(14-2)18-11-8-15-16(9-11)12-6-4-5-7-13(12)17-3/h4-10,14H,1-3H3
InChIKeyUTXZUFYYXVQTRU-UHFFFAOYSA-N
XLogP1.83
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenyl)-4-propan-2-yloxypyrazole
CID 117229659
1-[1-(2-methoxyphenyl)pyrazol-4-yl]oxy-N-methylpropan-2-amine
CID 117230222
1-(2-methoxyphenyl)pyrazol-4-ol
CID 117124800
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine
CID 117230337
2-(4-methoxypyrazol-1-yl)aniline
CID 130511077
2-[4-[2-(methylamino)propoxy]pyrazol-1-yl]phenol
CID 117230221
methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
CID 90649934
1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea
CID 125443355
1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116792885
N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125165825
N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 77086056
1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978577

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyphenyl)pyrazol-4-yl]oxy-N-methylethanamine?
The IUPAC name of 1-[1-(2-methoxyphenyl)pyrazol-4-yl]oxy-N-methylethanamine (CID 117230198) is 1-[1-(2-methoxyphenyl)pyrazol-4-yl]oxy-N-methylethanamine.
What is the SMILES notation for 1-[1-(2-methoxyphenyl)pyrazol-4-yl]oxy-N-methylethanamine?
The canonical SMILES for 1-[1-(2-methoxyphenyl)pyrazol-4-yl]oxy-N-methylethanamine is CNC(C)Oc1cnn(-c2ccccc2OC)c1.
What is the InChIKey of 1-[1-(2-methoxyphenyl)pyrazol-4-yl]oxy-N-methylethanamine?
The InChIKey is UTXZUFYYXVQTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10(14-2)18-11-8-15-16(9-11)12-6-4-5-7-13(12)17-3/h4-10,14H,1-3H3.
What are the key properties of 1-[1-(2-methoxyphenyl)pyrazol-4-yl]oxy-N-methylethanamine?
1-[1-(2-methoxyphenyl)pyrazol-4-yl]oxy-N-methylethanamine has a molecular weight of 247.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyphenyl)pyrazol-4-yl]oxy-N-methylethanamine is sourced from PubChem (CID 117230198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).