2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H22Cl2N4O — CID 86908821

IUPAC2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H22Cl2N4O/c1-9(14-7-6-13(18)8-15(14)19)20-11(3)17(24)21-16-10(2)22-23(5)12(16)4/h6-9,11,20H,1-5H3,(H,21,24)
InChIKeyIMXWUSVDIJEZNI-UHFFFAOYSA-N
MW369.30 g/mol
LogP4.02
Rot. Bonds5

About 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 86908821) has the molecular formula C17H22Cl2N4O and a molecular weight of 369.30 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID86908821
Molecular FormulaC17H22Cl2N4O
Molecular Weight369.30 g/mol
Exact Mass368.12
IUPAC Name2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H22Cl2N4O/c1-9(14-7-6-13(18)8-15(14)19)20-11(3)17(24)21-16-10(2)22-23(5)12(16)4/h6-9,11,20H,1-5H3,(H,21,24)
InChIKeyIMXWUSVDIJEZNI-UHFFFAOYSA-N
XLogP4.02
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8599075
(2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720215
2-(2,5-dichlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 46610623
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 8945999
(2R)-2-(4-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8647899
2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide
CID 43112445
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3,4-dichlorobenzoate
CID 8935759
2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide
CID 43112448
[(1S)-1-(4-chlorophenyl)ethyl]-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium
CID 8637678
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9253778
(2R)-2-(5-chloro-2,4-dimethoxyanilino)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 35960340
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768876

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 86908821) is 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)C(C)NC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is IMXWUSVDIJEZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4O/c1-9(14-7-6-13(18)8-15(14)19)20-11(3)17(24)21-16-10(2)22-23(5)12(16)4/h6-9,11,20H,1-5H3,(H,21,24).
What are the key properties of 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 369.30 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 86908821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).