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

C27H32F3N5O2 — CID 42733838

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
SMILESCC(C)CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H32F3N5O2/c1-18(2)16-34(25(37)31-20-11-9-10-19(14-20)27(28,29)30)17-24(36)32-23-15-22(26(3,4)5)33-35(23)21-12-7-6-8-13-21/h6-15,18H,16-17H2,1-5H3,(H,31,37)(H,32,36)
InChIKeyCLWOQPVMHGHAFS-UHFFFAOYSA-N
MW515.58 g/mol
LogP6.32
Rot. Bonds7

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

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide (PubChem CID 42733838) has the molecular formula C27H32F3N5O2 and a molecular weight of 515.58 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
PubChem CID42733838
Molecular FormulaC27H32F3N5O2
Molecular Weight515.58 g/mol
Exact Mass515.25
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
SMILESCC(C)CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H32F3N5O2/c1-18(2)16-34(25(37)31-20-11-9-10-19(14-20)27(28,29)30)17-24(36)32-23-15-22(26(3,4)5)33-35(23)21-12-7-6-8-13-21/h6-15,18H,16-17H2,1-5H3,(H,31,37)(H,32,36)
InChIKeyCLWOQPVMHGHAFS-UHFFFAOYSA-N
XLogP6.32
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.58
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4666820
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(3,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 3621664
N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(3-chlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 4009393
2-[(3-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide
CID 1052754
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4011807
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(3-chlorophenyl)carbamoyl-ethylamino]acetamide
CID 1052579
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[3-methylbutyl(phenylcarbamoyl)amino]acetamide
CID 3894024
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[(4-ethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 4005763
2-[(3-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide
CID 1062328
2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide
CID 1052755
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(3,4-difluorophenyl)carbamoyl-ethylamino]acetamide
CID 1052585
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[2-methylpropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]acetamide
CID 1056718

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide (CID 42733838) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide is CC(C)CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide?
The InChIKey is CLWOQPVMHGHAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N5O2/c1-18(2)16-34(25(37)31-20-11-9-10-19(14-20)27(28,29)30)17-24(36)32-23-15-22(26(3,4)5)33-35(23)21-12-7-6-8-13-21/h6-15,18H,16-17H2,1-5H3,(H,31,37)(H,32,36).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide has a molecular weight of 515.58 g/mol, XLogP of 6.32, 7 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-phenylpyrazol-5-yl)-2-[2-methylpropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide is sourced from PubChem (CID 42733838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).