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

C15H18Cl3N3 — CID 105001430

IUPAC2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine
SMILESCCc1nn(CC)c(CC(N)c2cc(Cl)cc(Cl)c2)c1Cl
InChIInChI=1S/C15H18Cl3N3/c1-3-13-15(18)14(21(4-2)20-13)8-12(19)9-5-10(16)7-11(17)6-9/h5-7,12H,3-4,8,19H2,1-2H3
InChIKeyOYNFTSBVLXAPDO-UHFFFAOYSA-N
MW346.69 g/mol
LogP4.67
Rot. Bonds5

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

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine (PubChem CID 105001430) has the molecular formula C15H18Cl3N3 and a molecular weight of 346.69 g/mol. Its IUPAC name is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine
PubChem CID105001430
Molecular FormulaC15H18Cl3N3
Molecular Weight346.69 g/mol
Exact Mass345.06
IUPAC Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine
SMILESCCc1nn(CC)c(CC(N)c2cc(Cl)cc(Cl)c2)c1Cl
InChIInChI=1S/C15H18Cl3N3/c1-3-13-15(18)14(21(4-2)20-13)8-12(19)9-5-10(16)7-11(17)6-9/h5-7,12H,3-4,8,19H2,1-2H3
InChIKeyOYNFTSBVLXAPDO-UHFFFAOYSA-N
XLogP4.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.69
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105161547
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 105002486
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-(3-chloro-2-methylphenyl)ethanamine
CID 107102651
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105161498
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
CID 105001455
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine
CID 104998324
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-(4-chloro-1,3-diethylpyrazol-5-yl)-3-methoxybutan-2-amine
CID 79616081
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503033
1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
CID 105001490

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine?
The IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine (CID 105001430) is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine is CCc1nn(CC)c(CC(N)c2cc(Cl)cc(Cl)c2)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine?
The InChIKey is OYNFTSBVLXAPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl3N3/c1-3-13-15(18)14(21(4-2)20-13)8-12(19)9-5-10(16)7-11(17)6-9/h5-7,12H,3-4,8,19H2,1-2H3.
What are the key properties of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine?
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine has a molecular weight of 346.69 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3,5-dichlorophenyl)ethanamine is sourced from PubChem (CID 105001430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).