2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)ethanamine

C14H18Cl2N4 — CID 105161498

IUPAC2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)ethanamine
SMILESCCc1nn(CC)c(CC(N)c2ccncc2Cl)c1Cl
InChIInChI=1S/C14H18Cl2N4/c1-3-12-14(16)13(20(4-2)19-12)7-11(17)9-5-6-18-8-10(9)15/h5-6,8,11H,3-4,7,17H2,1-2H3
InChIKeyHWLJLQUGGGYLBW-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.41
Rot. Bonds5

About 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)ethanamine

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)ethanamine (PubChem CID 105161498) has the molecular formula C14H18Cl2N4 and a molecular weight of 313.23 g/mol. Its IUPAC name is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)ethanamine
PubChem CID105161498
Molecular FormulaC14H18Cl2N4
Molecular Weight313.23 g/mol
Exact Mass312.09
IUPAC Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)ethanamine
SMILESCCc1nn(CC)c(CC(N)c2ccncc2Cl)c1Cl
InChIInChI=1S/C14H18Cl2N4/c1-3-12-14(16)13(20(4-2)19-12)7-11(17)9-5-6-18-8-10(9)15/h5-6,8,11H,3-4,7,17H2,1-2H3
InChIKeyHWLJLQUGGGYLBW-UHFFFAOYSA-N
XLogP3.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)ethanamine
CID 107102651
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine
CID 105001430
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 105001407
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105161547
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
CID 105001455
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine
CID 105002384
1-(3-chloro-4-pyridinyl)pentan-1-amine
CID 55270416
[2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-pyrimidin-4-ylethyl]hydrazine
CID 105221159
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105161548
3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-amine
CID 79496363
1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167678
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-methoxybutan-2-amine
CID 79616081

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)ethanamine?
The IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)ethanamine (CID 105161498) is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)ethanamine is CCc1nn(CC)c(CC(N)c2ccncc2Cl)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)ethanamine?
The InChIKey is HWLJLQUGGGYLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4/c1-3-12-14(16)13(20(4-2)19-12)7-11(17)9-5-6-18-8-10(9)15/h5-6,8,11H,3-4,7,17H2,1-2H3.
What are the key properties of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)ethanamine?
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)ethanamine has a molecular weight of 313.23 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)ethanamine is sourced from PubChem (CID 105161498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).