1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine

C16H22ClN3O — CID 105001602

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
SMILESCCc1cc(CC(N)c2cc(Cl)ccc2OC)n(CC)n1
InChIInChI=1S/C16H22ClN3O/c1-4-12-9-13(20(5-2)19-12)10-15(18)14-8-11(17)6-7-16(14)21-3/h6-9,15H,4-5,10,18H2,1-3H3
InChIKeyGCKUBOMQHVQWNO-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.37
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine

1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine (PubChem CID 105001602) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
PubChem CID105001602
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
SMILESCCc1cc(CC(N)c2cc(Cl)ccc2OC)n(CC)n1
InChIInChI=1S/C16H22ClN3O/c1-4-12-9-13(20(5-2)19-12)10-15(18)14-8-11(17)6-7-16(14)21-3/h6-9,15H,4-5,10,18H2,1-3H3
InChIKeyGCKUBOMQHVQWNO-UHFFFAOYSA-N
XLogP3.37
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105001646
1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118845
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 105055314
1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
CID 105001648
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 55135517
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine
CID 105161642
1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 105141041
(1R)-1-(5-chloro-2-methoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171215027
1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine
CID 66147462

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine (CID 105001602) is 1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine is CCc1cc(CC(N)c2cc(Cl)ccc2OC)n(CC)n1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine?
The InChIKey is GCKUBOMQHVQWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-4-12-9-13(20(5-2)19-12)10-15(18)14-8-11(17)6-7-16(14)21-3/h6-9,15H,4-5,10,18H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine?
1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine has a molecular weight of 307.83 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 1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 105001602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).