1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine

C16H22ClN3O — CID 105158513

IUPAC1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine
SMILESCCNC(COc1cccc(Cl)c1)Cc1cc(C)nn1C
InChIInChI=1S/C16H22ClN3O/c1-4-18-14(10-15-8-12(2)19-20(15)3)11-21-16-7-5-6-13(17)9-16/h5-9,14,18H,4,10-11H2,1-3H3
InChIKeyXNWBYWPPBQQVBU-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.98
Rot. Bonds7

About 1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine

1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine (PubChem CID 105158513) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine
PubChem CID105158513
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine
SMILESCCNC(COc1cccc(Cl)c1)Cc1cc(C)nn1C
InChIInChI=1S/C16H22ClN3O/c1-4-18-14(10-15-8-12(2)19-20(15)3)11-21-16-7-5-6-13(17)9-16/h5-9,14,18H,4,10-11H2,1-3H3
InChIKeyXNWBYWPPBQQVBU-UHFFFAOYSA-N
XLogP2.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
CID 105317037
1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 105086778
1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine
CID 105087367
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105158723
1-(3-chlorophenoxy)-N-ethyl-4-methylsulfonylbutan-2-amine
CID 114984084
1-(3-chlorophenoxy)-N-ethylnonan-2-amine
CID 105124587
1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine
CID 105176967
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 104996043
1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 106692336
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105158653
1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 105138600
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 105158512

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine (CID 105158513) is 1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine is CCNC(COc1cccc(Cl)c1)Cc1cc(C)nn1C.
What is the InChIKey of 1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine?
The InChIKey is XNWBYWPPBQQVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-4-18-14(10-15-8-12(2)19-20(15)3)11-21-16-7-5-6-13(17)9-16/h5-9,14,18H,4,10-11H2,1-3H3.
What are the key properties of 1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine?
1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine has a molecular weight of 307.82 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 105158513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).