N-[3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-yl]propanamide

C16H19Cl2N3O — CID 46087757

IUPACN-[3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-yl]propanamide
SMILESCCC(=O)Nc1cc(C(C)(C)C)nn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H19Cl2N3O/c1-5-15(22)19-14-9-13(16(2,3)4)20-21(14)12-8-10(17)6-7-11(12)18/h6-9H,5H2,1-4H3,(H,19,22)
InChIKeyUTZKAWFJCXBLNJ-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.83
Rot. Bonds3

About N-[3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-yl]propanamide

N-[3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-yl]propanamide (PubChem CID 46087757) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-yl]propanamide
PubChem CID46087757
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC NameN-[3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-yl]propanamide
SMILESCCC(=O)Nc1cc(C(C)(C)C)nn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H19Cl2N3O/c1-5-15(22)19-14-9-13(16(2,3)4)20-21(14)12-8-10(17)6-7-11(12)18/h6-9H,5H2,1-4H3,(H,19,22)
InChIKeyUTZKAWFJCXBLNJ-UHFFFAOYSA-N
XLogP4.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-yl]-3-cyanobenzamide
CID 24720499
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]propanamide
CID 770939
N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-N-propylbenzamide
CID 42732379
(3R)-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-3,5,5-trimethylhexanamide
CID 7271313
N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-2-(methylamino)acetamide
CID 119733627
2-[butyl-[(4-chlorophenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide
CID 3594313
N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-3-methylbutanamide
CID 42732139
5-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-5-oxopentanoic acid
CID 5227802
4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride
CID 119294975
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[(2,4-dichlorophenyl)carbamoyl-propylamino]acetamide
CID 3574725
N-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-2-[(2,4-dichlorophenyl)carbamoyl-methylamino]acetamide
CID 1056603
N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-pentylcyclopropanecarboxamide
CID 42735819

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-yl]propanamide?
The IUPAC name of N-[3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-yl]propanamide (CID 46087757) is N-[3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-yl]propanamide.
What is the SMILES notation for N-[3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-yl]propanamide?
The canonical SMILES for N-[3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-yl]propanamide is CCC(=O)Nc1cc(C(C)(C)C)nn1-c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-yl]propanamide?
The InChIKey is UTZKAWFJCXBLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c1-5-15(22)19-14-9-13(16(2,3)4)20-21(14)12-8-10(17)6-7-11(12)18/h6-9H,5H2,1-4H3,(H,19,22).
What are the key properties of N-[3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-yl]propanamide?
N-[3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-yl]propanamide has a molecular weight of 340.25 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-yl]propanamide is sourced from PubChem (CID 46087757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).