N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-ethylhexanamide

C23H25Cl2N3O — CID 46087819

IUPACN-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cc(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H25Cl2N3O/c1-3-5-9-16(4-2)23(29)26-22-15-20(17-10-7-6-8-11-17)27-28(22)21-14-18(24)12-13-19(21)25/h6-8,10-16H,3-5,9H2,1-2H3,(H,26,29)
InChIKeyGVLPODQZTUSFCB-UHFFFAOYSA-N
MW430.38 g/mol
LogP7.00
Rot. Bonds8

About N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-ethylhexanamide

N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-ethylhexanamide (PubChem CID 46087819) has the molecular formula C23H25Cl2N3O and a molecular weight of 430.38 g/mol. Its IUPAC name is N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-ethylhexanamide.

Molecular Properties

Compound NameN-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-ethylhexanamide
PubChem CID46087819
Molecular FormulaC23H25Cl2N3O
Molecular Weight430.38 g/mol
Exact Mass429.14
IUPAC NameN-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cc(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H25Cl2N3O/c1-3-5-9-16(4-2)23(29)26-22-15-20(17-10-7-6-8-11-17)27-28(22)21-14-18(24)12-13-19(21)25/h6-8,10-16H,3-5,9H2,1-2H3,(H,26,29)
InChIKeyGVLPODQZTUSFCB-UHFFFAOYSA-N
XLogP7.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-ethylhexanamide?
The IUPAC name of N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-ethylhexanamide (CID 46087819) is N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-ethylhexanamide.
What is the SMILES notation for N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-ethylhexanamide?
The canonical SMILES for N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1cc(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-ethylhexanamide?
The InChIKey is GVLPODQZTUSFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O/c1-3-5-9-16(4-2)23(29)26-22-15-20(17-10-7-6-8-11-17)27-28(22)21-14-18(24)12-13-19(21)25/h6-8,10-16H,3-5,9H2,1-2H3,(H,26,29).
What are the key properties of N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-ethylhexanamide?
N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-ethylhexanamide has a molecular weight of 430.38 g/mol, XLogP of 7.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-ethylhexanamide is sourced from PubChem (CID 46087819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).