N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine

C15H21N3O — CID 116801740

IUPACN-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCCCn1cc(Oc2cccc(C(C)NC)c2)cn1
InChIInChI=1S/C15H21N3O/c1-4-8-18-11-15(10-17-18)19-14-7-5-6-13(9-14)12(2)16-3/h5-7,9-12,16H,4,8H2,1-3H3
InChIKeyMXFJSWCFOGOEHG-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.37
Rot. Bonds6

About N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine

N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine (PubChem CID 116801740) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
PubChem CID116801740
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCCCn1cc(Oc2cccc(C(C)NC)c2)cn1
InChIInChI=1S/C15H21N3O/c1-4-8-18-11-15(10-17-18)19-14-7-5-6-13(9-14)12(2)16-3/h5-7,9-12,16H,4,8H2,1-3H3
InChIKeyMXFJSWCFOGOEHG-UHFFFAOYSA-N
XLogP3.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine
CID 116801748
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1-propylpyrazol-4-yl)methanamine
CID 115807684
1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116801665
1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 62125799
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 79170154
3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol
CID 117125332
N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802269
N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 116802934
1-[3-[3-(methoxymethyl)phenoxy]phenyl]-N-methylethanamine
CID 79167488
(1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 104893552

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine?
The IUPAC name of N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine (CID 116801740) is N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine is CCCn1cc(Oc2cccc(C(C)NC)c2)cn1.
What is the InChIKey of N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine?
The InChIKey is MXFJSWCFOGOEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-8-18-11-15(10-17-18)19-14-7-5-6-13(9-14)12(2)16-3/h5-7,9-12,16H,4,8H2,1-3H3.
What are the key properties of N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine?
N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 116801740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).