N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide

C18H24ClN3O — CID 42730449

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C18H24ClN3O/c1-17(2,3)14-11-15(20-16(23)18(4,5)12-19)22(21-14)13-9-7-6-8-10-13/h6-11H,12H2,1-5H3,(H,20,23)
InChIKeyWXCWQXOARXOHLP-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.37
Rot. Bonds4

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide (PubChem CID 42730449) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide
PubChem CID42730449
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C18H24ClN3O/c1-17(2,3)14-11-15(20-16(23)18(4,5)12-19)22(21-14)13-9-7-6-8-10-13/h6-11H,12H2,1-5H3,(H,20,23)
InChIKeyWXCWQXOARXOHLP-UHFFFAOYSA-N
XLogP4.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 4259022
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CID 46088066
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 16613947
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
CID 42730468
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[dimethylcarbamoyl(propan-2-yl)amino]acetamide
CID 42735336
N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide
CID 42732985
N-[1-(4-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-phenylacetamide
CID 46087859
N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-2-(methylamino)acetamide
CID 119733627
N-(3-tert-butyl-1-phenylpyrazol-5-yl)adamantane-1-carboxamide
CID 3883319
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2125863
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7696915

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide (CID 42730449) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide?
The InChIKey is WXCWQXOARXOHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-17(2,3)14-11-15(20-16(23)18(4,5)12-19)22(21-14)13-9-7-6-8-10-13/h6-11H,12H2,1-5H3,(H,20,23).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide has a molecular weight of 333.86 g/mol, XLogP of 4.37, 4 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-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide is sourced from PubChem (CID 42730449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).