N-[[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C23H22F3N5O3 — CID 155519636

IUPACN-[[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)(NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1)C(N)=O
InChIInChI=1S/C23H22F3N5O3/c1-22(2,21(27)34)30-19(32)15-10-8-14(9-11-15)12-28-20(33)17-13-29-31(18(17)23(24,25)26)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H2,27,34)(H,28,33)(H,30,32)
InChIKeyPQMGYIKTKBODQJ-UHFFFAOYSA-N
MW473.46 g/mol
LogP2.81
Rot. Bonds7

About N-[[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 155519636) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is N-[[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID155519636
Molecular FormulaC23H22F3N5O3
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC NameN-[[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)(NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1)C(N)=O
InChIInChI=1S/C23H22F3N5O3/c1-22(2,21(27)34)30-19(32)15-10-8-14(9-11-15)12-28-20(33)17-13-29-31(18(17)23(24,25)26)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H2,27,34)(H,28,33)(H,30,32)
InChIKeyPQMGYIKTKBODQJ-UHFFFAOYSA-N
XLogP2.81
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 716930
(4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide
CID 24864078
(((2,6-difluorophenyl)carbonyl)amino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 24864079
4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 24864082
N4-(4-fluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2808002
N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-4-(trifluoromethyl)benzamide
CID 135869418
{[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 11268094
Pyrazole diamide, 25
CID 24971319
Pyrazole diamide, 27
CID 24971321
N-[5-[[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 139030331
N-[(E)-1-[4-[(3-fluorobenzoyl)amino]phenyl]ethylideneamino]-1-methylpyrazole-3-carboxamide
CID 7695693
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811411

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 155519636) is N-[[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)(NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1)C(N)=O.
What is the InChIKey of N-[[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is PQMGYIKTKBODQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c1-22(2,21(27)34)30-19(32)15-10-8-14(9-11-15)12-28-20(33)17-13-29-31(18(17)23(24,25)26)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H2,27,34)(H,28,33)(H,30,32).
What are the key properties of N-[[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 473.46 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 155519636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).