1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine

C12H14Cl2N4 — CID 82702386

IUPAC1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine
SMILESCCc1nn(-c2ncc(Cl)cc2Cl)c(CC)c1N
InChIInChI=1S/C12H14Cl2N4/c1-3-9-11(15)10(4-2)18(17-9)12-8(14)5-7(13)6-16-12/h5-6H,3-4,15H2,1-2H3
InChIKeyIRUJUOURNDBHBF-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.28
Rot. Bonds3

About 1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine

1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine (PubChem CID 82702386) has the molecular formula C12H14Cl2N4 and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine
PubChem CID82702386
Molecular FormulaC12H14Cl2N4
Molecular Weight285.18 g/mol
Exact Mass284.06
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine
SMILESCCc1nn(-c2ncc(Cl)cc2Cl)c(CC)c1N
InChIInChI=1S/C12H14Cl2N4/c1-3-9-11(15)10(4-2)18(17-9)12-8(14)5-7(13)6-16-12/h5-6H,3-4,15H2,1-2H3
InChIKeyIRUJUOURNDBHBF-UHFFFAOYSA-N
XLogP3.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine (CID 82702386) is 1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine is CCc1nn(-c2ncc(Cl)cc2Cl)c(CC)c1N.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine?
The InChIKey is IRUJUOURNDBHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4/c1-3-9-11(15)10(4-2)18(17-9)12-8(14)5-7(13)6-16-12/h5-6H,3-4,15H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine?
1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine has a molecular weight of 285.18 g/mol, XLogP of 3.28, 3 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)-3,5-diethylpyrazol-4-amine is sourced from PubChem (CID 82702386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).