1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

C16H22ClN3 — CID 64786047

IUPAC1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(N)c2cccc(Cl)c2)n1
InChIInChI=1S/C16H22ClN3/c1-3-15(4-2)20-9-8-14(19-20)11-16(18)12-6-5-7-13(17)10-12/h5-10,15-16H,3-4,11,18H2,1-2H3
InChIKeyQYXSZLDAAMFXOL-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.14
Rot. Bonds6

About 1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (PubChem CID 64786047) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
PubChem CID64786047
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(N)c2cccc(Cl)c2)n1
InChIInChI=1S/C16H22ClN3/c1-3-15(4-2)20-9-8-14(19-20)11-16(18)12-6-5-7-13(17)10-12/h5-10,15-16H,3-4,11,18H2,1-2H3
InChIKeyQYXSZLDAAMFXOL-UHFFFAOYSA-N
XLogP4.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64783752
1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991711
(1R)-1-(3-chlorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81362448
1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 79783320
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine
CID 64785495
1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772954
1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991712
3-(3-chloro-2-phenylpropyl)-1-pentan-3-ylpyrazole
CID 66036141
1-(3-chlorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79747791
2-(3-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 79431157
1-(3-chloro-4-methylthiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 103406335

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (CID 64786047) is 1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is CCC(CC)n1ccc(CC(N)c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The InChIKey is QYXSZLDAAMFXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-3-15(4-2)20-9-8-14(19-20)11-16(18)12-6-5-7-13(17)10-12/h5-10,15-16H,3-4,11,18H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine has a molecular weight of 291.83 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 64786047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).