1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine

C15H21N3O — CID 62715334

IUPAC1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine
SMILESCCn1cc(CC(COc2ccccc2)NC)cn1
InChIInChI=1S/C15H21N3O/c1-3-18-11-13(10-17-18)9-14(16-2)12-19-15-7-5-4-6-8-15/h4-8,10-11,14,16H,3,9,12H2,1-2H3
InChIKeyZPFOELWHLSSABI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.11
Rot. Bonds7

About 1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine

1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine (PubChem CID 62715334) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine
PubChem CID62715334
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine
SMILESCCn1cc(CC(COc2ccccc2)NC)cn1
InChIInChI=1S/C15H21N3O/c1-3-18-11-13(10-17-18)9-14(16-2)12-19-15-7-5-4-6-8-15/h4-8,10-11,14,16H,3,9,12H2,1-2H3
InChIKeyZPFOELWHLSSABI-UHFFFAOYSA-N
XLogP2.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(1-ethylpyrazol-4-yl)-2-phenoxyethyl]hydrazine
CID 105212974
1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 115822526
2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 63261204
1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine
CID 115822649
1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084979
4-(3-chloro-2-methyl-3-phenylpropyl)-1-ethylpyrazole
CID 113460170
5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 103570664
[1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025218
1-ethoxy-N-methyl-3-phenoxypropan-2-amine
CID 79574032
1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine
CID 65143155
1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 62125799
1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine (CID 62715334) is 1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine is CCn1cc(CC(COc2ccccc2)NC)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine?
The InChIKey is ZPFOELWHLSSABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-18-11-13(10-17-18)9-14(16-2)12-19-15-7-5-4-6-8-15/h4-8,10-11,14,16H,3,9,12H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine?
1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine is sourced from PubChem (CID 62715334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).