N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide

C28H34F3N5O2 — CID 3651634

IUPACN-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
SMILESCCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C28H34F3N5O2/c1-6-7-15-35(26(38)32-22-14-9-8-13-21(22)28(29,30)31)18-25(37)33-24-17-23(27(3,4)5)34-36(24)20-12-10-11-19(2)16-20/h8-14,16-17H,6-7,15,18H2,1-5H3,(H,32,38)(H,33,37)
InChIKeyMZPHTJWHRNZVKF-UHFFFAOYSA-N
MW529.61 g/mol
LogP6.77
Rot. Bonds8

About N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide

N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide (PubChem CID 3651634) has the molecular formula C28H34F3N5O2 and a molecular weight of 529.61 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
PubChem CID3651634
Molecular FormulaC28H34F3N5O2
Molecular Weight529.61 g/mol
Exact Mass529.27
IUPAC NameN-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
SMILESCCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C28H34F3N5O2/c1-6-7-15-35(26(38)32-22-14-9-8-13-21(22)28(29,30)31)18-25(37)33-24-17-23(27(3,4)5)34-36(24)20-12-10-11-19(2)16-20/h8-14,16-17H,6-7,15,18H2,1-5H3,(H,32,38)(H,33,37)
InChIKeyMZPHTJWHRNZVKF-UHFFFAOYSA-N
XLogP6.77
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.61
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide
CID 3707073
2-[butyl-[(4-methylphenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide
CID 5024389
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-pentylamino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide
CID 24718430
2-[(2-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide
CID 4540271
ethyl 2-[[butyl-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamoyl]amino]acetate
CID 4216898
N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[propyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4695442
N-butyl-N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]pentanamide
CID 42732351
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 3964180
2-[butyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide
CID 3943459
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[(2,3-dimethylphenyl)carbamoyl-ethylamino]acetamide
CID 42736016
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[(3-methylphenyl)carbamoyl-propylamino]acetamide
CID 1056726
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-fluoro-N-pentylbenzamide
CID 42735418

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide?
The IUPAC name of N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide (CID 3651634) is N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide.
What is the SMILES notation for N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide?
The canonical SMILES for N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide is CCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide?
The InChIKey is MZPHTJWHRNZVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F3N5O2/c1-6-7-15-35(26(38)32-22-14-9-8-13-21(22)28(29,30)31)18-25(37)33-24-17-23(27(3,4)5)34-36(24)20-12-10-11-19(2)16-20/h8-14,16-17H,6-7,15,18H2,1-5H3,(H,32,38)(H,33,37).
What are the key properties of N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide?
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide has a molecular weight of 529.61 g/mol, XLogP of 6.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide is sourced from PubChem (CID 3651634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).