N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2,2-dimethylpropanamide

C20H29N3O — CID 42731375

IUPACN-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2,2-dimethylpropanamide
SMILESCc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(C)(C)C)c1C
InChIInChI=1S/C20H29N3O/c1-13-10-9-11-15(14(13)2)23-17(21-18(24)20(6,7)8)12-16(22-23)19(3,4)5/h9-12H,1-8H3,(H,21,24)
InChIKeyGOHCKUMBEKRVHI-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.77
Rot. Bonds2

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

N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2,2-dimethylpropanamide (PubChem CID 42731375) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2,2-dimethylpropanamide
PubChem CID42731375
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2,2-dimethylpropanamide
SMILESCc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(C)(C)C)c1C
InChIInChI=1S/C20H29N3O/c1-13-10-9-11-15(14(13)2)23-17(21-18(24)20(6,7)8)12-16(22-23)19(3,4)5/h9-12H,1-8H3,(H,21,24)
InChIKeyGOHCKUMBEKRVHI-UHFFFAOYSA-N
XLogP4.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide
CID 42731406
(E)-N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-3-phenylprop-2-enamide
CID 42731413
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[dimethylcarbamoyl(propyl)amino]acetamide
CID 1062337
(2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide
CID 1060811
N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide
CID 42732985
N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-2,2-dimethyl-N-propylpropanamide
CID 4314731
phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate
CID 66876623
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-3-chlorobenzamide
CID 42730580
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide
CID 4036059
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]propanamide
CID 770939
N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 1060824
N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42740865

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2,2-dimethylpropanamide (CID 42731375) is N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2,2-dimethylpropanamide is Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(C)(C)C)c1C.
What is the InChIKey of N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2,2-dimethylpropanamide?
The InChIKey is GOHCKUMBEKRVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-13-10-9-11-15(14(13)2)23-17(21-18(24)20(6,7)8)12-16(22-23)19(3,4)5/h9-12H,1-8H3,(H,21,24).
What are the key properties of N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2,2-dimethylpropanamide?
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2,2-dimethylpropanamide has a molecular weight of 327.47 g/mol, XLogP of 4.77, 2 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-(2,3-dimethylphenyl)pyrazol-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 42731375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).