2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide

C21H24N4O — CID 134033635

IUPAC2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C21H24N4O/c1-15-20(17(3)25(23-15)19-13-9-6-10-14-19)22-16(2)21(26)24(4)18-11-7-5-8-12-18/h5-14,16,22H,1-4H3
InChIKeyPDFOGXLLPKWPQF-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.95
Rot. Bonds5

About 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide

2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide (PubChem CID 134033635) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide
PubChem CID134033635
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C21H24N4O/c1-15-20(17(3)25(23-15)19-13-9-6-10-14-19)22-16(2)21(26)24(4)18-11-7-5-8-12-18/h5-14,16,22H,1-4H3
InChIKeyPDFOGXLLPKWPQF-UHFFFAOYSA-N
XLogP3.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
CID 51338271
N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
CID 24628215
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 42938143
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 134033637
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 94615289
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(N-methylanilino)acetamide
CID 8002339
2-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 47002122
2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826187
1-tert-butyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)urea
CID 78834613
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 110935836
N-methyl-5-oxo-N,4-diphenyltetrazole-1-carboxamide
CID 14857263
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 8712451

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide?
The IUPAC name of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide (CID 134033635) is 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide?
The canonical SMILES for 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide is Cc1nn(-c2ccccc2)c(C)c1NC(C)C(=O)N(C)c1ccccc1.
What is the InChIKey of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide?
The InChIKey is PDFOGXLLPKWPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-20(17(3)25(23-15)19-13-9-6-10-14-19)22-16(2)21(26)24(4)18-11-7-5-8-12-18/h5-14,16,22H,1-4H3.
What are the key properties of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide?
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide has a molecular weight of 348.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 134033635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).