N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide

C12H11Cl3N4O — CID 61036168

IUPACN-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
SMILESCC(C(=O)Nc1c(Cl)cc(N)cc1Cl)n1cc(Cl)cn1
InChIInChI=1S/C12H11Cl3N4O/c1-6(19-5-7(13)4-17-19)12(20)18-11-9(14)2-8(16)3-10(11)15/h2-6H,16H2,1H3,(H,18,20)
InChIKeyJTRFSYIVNFIEEX-UHFFFAOYSA-N
MW333.61 g/mol
LogP3.63
Rot. Bonds3

About N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide

N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide (PubChem CID 61036168) has the molecular formula C12H11Cl3N4O and a molecular weight of 333.61 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
PubChem CID61036168
Molecular FormulaC12H11Cl3N4O
Molecular Weight333.61 g/mol
Exact Mass332.00
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
SMILESCC(C(=O)Nc1c(Cl)cc(N)cc1Cl)n1cc(Cl)cn1
InChIInChI=1S/C12H11Cl3N4O/c1-6(19-5-7(13)4-17-19)12(20)18-11-9(14)2-8(16)3-10(11)15/h2-6H,16H2,1H3,(H,18,20)
InChIKeyJTRFSYIVNFIEEX-UHFFFAOYSA-N
XLogP3.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide
CID 61036183
2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide
CID 175033378
N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 54909721
N-(2-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 54909999
N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 43080000
N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide
CID 16787449
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
2-(4-chloropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19538486
N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 43079943
3-(4-chloropyrazol-1-yl)butan-2-one
CID 61036179
N-(4-amino-2,6-dichlorophenyl)-2-methoxypropanamide
CID 16782940
N-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 19538442

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide (CID 61036168) is N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide is CC(C(=O)Nc1c(Cl)cc(N)cc1Cl)n1cc(Cl)cn1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide?
The InChIKey is JTRFSYIVNFIEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N4O/c1-6(19-5-7(13)4-17-19)12(20)18-11-9(14)2-8(16)3-10(11)15/h2-6H,16H2,1H3,(H,18,20).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide?
N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide has a molecular weight of 333.61 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide is sourced from PubChem (CID 61036168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).