(1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine

C15H21N3O2 — CID 104893552

IUPAC(1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCCCn1cc(Oc2cccc(OC)c2[C@H](C)N)cn1
InChIInChI=1S/C15H21N3O2/c1-4-8-18-10-12(9-17-18)20-14-7-5-6-13(19-3)15(14)11(2)16/h5-7,9-11H,4,8,16H2,1-3H3/t11-/m0/s1
InChIKeyQDZIBPBSTMQUMK-NSHDSACASA-N
MW275.35 g/mol
LogP3.11
Rot. Bonds6

About (1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine

(1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine (PubChem CID 104893552) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
PubChem CID104893552
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCCCn1cc(Oc2cccc(OC)c2[C@H](C)N)cn1
InChIInChI=1S/C15H21N3O2/c1-4-8-18-10-12(9-17-18)20-14-7-5-6-13(19-3)15(14)11(2)16/h5-7,9-11H,4,8,16H2,1-3H3/t11-/m0/s1
InChIKeyQDZIBPBSTMQUMK-NSHDSACASA-N
XLogP3.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801704
1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801605
1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116792885
2-(1-butylpyrazol-4-yl)oxyaniline
CID 166174631
N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802309
N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 116802934
2-bromo-6-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 114888731
(2,6-dimethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815562
N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801740
2-(2-methoxyanilino)-2-(1-propylpyrazol-4-yl)acetamide
CID 103572073
1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801996
4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole
CID 114054833

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine?
The IUPAC name of (1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine (CID 104893552) is (1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine is CCCn1cc(Oc2cccc(OC)c2[C@H](C)N)cn1.
What is the InChIKey of (1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine?
The InChIKey is QDZIBPBSTMQUMK-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-8-18-10-12(9-17-18)20-14-7-5-6-13(19-3)15(14)11(2)16/h5-7,9-11H,4,8,16H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine?
(1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine has a molecular weight of 275.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 104893552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).