1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine

C15H20ClN3O — CID 105160098

IUPAC1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
SMILESCCc1cc(CC(N)COc2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C15H20ClN3O/c1-3-13-9-14(19(2)18-13)8-12(17)10-20-15-6-4-11(16)5-7-15/h4-7,9,12H,3,8,10,17H2,1-2H3
InChIKeyLMKVZZXQMOMBLF-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.58
Rot. Bonds6

About 1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine

1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine (PubChem CID 105160098) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
PubChem CID105160098
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
SMILESCCc1cc(CC(N)COc2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C15H20ClN3O/c1-3-13-9-14(19(2)18-13)8-12(17)10-20-15-6-4-11(16)5-7-15/h4-7,9,12H,3,8,10,17H2,1-2H3
InChIKeyLMKVZZXQMOMBLF-UHFFFAOYSA-N
XLogP2.58
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.58
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-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine
CID 105101373
(1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 79025613
1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999140
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
CID 104999148
2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 79434391
1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105162518
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine
CID 115649859
1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine
CID 114211654
2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 79433325
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine
CID 116718430

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine (CID 105160098) is 1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine is CCc1cc(CC(N)COc2ccc(Cl)cc2)n(C)n1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine?
The InChIKey is LMKVZZXQMOMBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-3-13-9-14(19(2)18-13)8-12(17)10-20-15-6-4-11(16)5-7-15/h4-7,9,12H,3,8,10,17H2,1-2H3.
What are the key properties of 1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine?
1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine has a molecular weight of 293.80 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine is sourced from PubChem (CID 105160098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).