1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine

C13H17N3O2 — CID 117125240

IUPAC1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine
SMILESCNC(C)n1cc(Oc2cccc(OC)c2)cn1
InChIInChI=1S/C13H17N3O2/c1-10(14-2)16-9-13(8-15-16)18-12-6-4-5-11(7-12)17-3/h4-10,14H,1-3H3
InChIKeyNWESJPSHLDZVHR-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.42
Rot. Bonds5

About 1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine

1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine (PubChem CID 117125240) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine
PubChem CID117125240
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine
SMILESCNC(C)n1cc(Oc2cccc(OC)c2)cn1
InChIInChI=1S/C13H17N3O2/c1-10(14-2)16-9-13(8-15-16)18-12-6-4-5-11(7-12)17-3/h4-10,14H,1-3H3
InChIKeyNWESJPSHLDZVHR-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-bromophenoxy)pyrazol-1-yl]-N-methylethanamine
CID 117125176
4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole
CID 117229524
1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine
CID 105489793
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
1-(4-phenoxypyrazol-1-yl)ethanamine
CID 117125159
1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 114079106
3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid
CID 115055488
4-(3-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole
CID 117125146
2-[5-(3-methoxyphenoxy)pyrimidin-2-yl]-N-methylethanamine
CID 115055192
N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801740
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116801808
1,3-bis(4-methoxyphenoxy)benzene
CID 629519

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine?
The IUPAC name of 1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine (CID 117125240) is 1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine?
The canonical SMILES for 1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine is CNC(C)n1cc(Oc2cccc(OC)c2)cn1.
What is the InChIKey of 1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine?
The InChIKey is NWESJPSHLDZVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10(14-2)16-9-13(8-15-16)18-12-6-4-5-11(7-12)17-3/h4-10,14H,1-3H3.
What are the key properties of 1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine?
1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine has a molecular weight of 247.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine is sourced from PubChem (CID 117125240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).