2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine

C15H21ClN4 — CID 105161547

IUPAC2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCCc1nn(CC)c(CC(N)c2ccc(C)nc2)c1Cl
InChIInChI=1S/C15H21ClN4/c1-4-13-15(16)14(20(5-2)19-13)8-12(17)11-7-6-10(3)18-9-11/h6-7,9,12H,4-5,8,17H2,1-3H3
InChIKeyUTQULVPOCURGAB-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.06
Rot. Bonds5

About 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine (PubChem CID 105161547) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine
PubChem CID105161547
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCCc1nn(CC)c(CC(N)c2ccc(C)nc2)c1Cl
InChIInChI=1S/C15H21ClN4/c1-4-13-15(16)14(20(5-2)19-13)8-12(17)11-7-6-10(3)18-9-11/h6-7,9,12H,4-5,8,17H2,1-3H3
InChIKeyUTQULVPOCURGAB-UHFFFAOYSA-N
XLogP3.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine
CID 105001430
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-chloro-4-pyridinyl)ethanamine
CID 105161498
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethyl]hydrazine
CID 105318849
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-(4-methylthiadiazol-5-yl)ethanamine
CID 105161548
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491483
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105159863
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503033
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 105002486
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
CID 105001455
2-(2-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 55166211

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine (CID 105161547) is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine is CCc1nn(CC)c(CC(N)c2ccc(C)nc2)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine?
The InChIKey is UTQULVPOCURGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-4-13-15(16)14(20(5-2)19-13)8-12(17)11-7-6-10(3)18-9-11/h6-7,9,12H,4-5,8,17H2,1-3H3.
What are the key properties of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine?
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine has a molecular weight of 292.81 g/mol, XLogP of 3.06, 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-(6-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105161547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).