1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

C15H20Cl2N4 — CID 79783320

IUPAC1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(N)c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C15H20Cl2N4/c1-3-12(4-2)21-6-5-11(20-21)8-14(18)15-13(17)7-10(16)9-19-15/h5-7,9,12,14H,3-4,8,18H2,1-2H3
InChIKeyYXVYTQSHLBWJNH-UHFFFAOYSA-N
MW327.26 g/mol
LogP4.19
Rot. Bonds6

About 1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (PubChem CID 79783320) has the molecular formula C15H20Cl2N4 and a molecular weight of 327.26 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
PubChem CID79783320
Molecular FormulaC15H20Cl2N4
Molecular Weight327.26 g/mol
Exact Mass326.11
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(N)c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C15H20Cl2N4/c1-3-12(4-2)21-6-5-11(20-21)8-14(18)15-13(17)7-10(16)9-19-15/h5-7,9,12,14H,3-4,8,18H2,1-2H3
InChIKeyYXVYTQSHLBWJNH-UHFFFAOYSA-N
XLogP4.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64786047
1-(3,5-dichloro-2-pyridinyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79780214
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991711
1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991712
1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050223
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79780623
1-(3-chloro-4-methylthiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 103406335
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79783500
2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 106868543
1-(3,5-dichloro-2-pyridinyl)-2-(furan-3-yl)ethanamine
CID 83182559
1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine
CID 79780789

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (CID 79783320) is 1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is CCC(CC)n1ccc(CC(N)c2ncc(Cl)cc2Cl)n1.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The InChIKey is YXVYTQSHLBWJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N4/c1-3-12(4-2)21-6-5-11(20-21)8-14(18)15-13(17)7-10(16)9-19-15/h5-7,9,12,14H,3-4,8,18H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine has a molecular weight of 327.26 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 79783320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).