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

C26H28F3N5O3 — CID 155546916

IUPACN-[[4-[[(2S)-1-amino-5-methyl-1-oxohexan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)CC[C@H](NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1)C(N)=O
InChIInChI=1S/C26H28F3N5O3/c1-16(2)8-13-21(23(30)35)33-24(36)18-11-9-17(10-12-18)14-31-25(37)20-15-32-34(22(20)26(27,28)29)19-6-4-3-5-7-19/h3-7,9-12,15-16,21H,8,13-14H2,1-2H3,(H2,30,35)(H,31,37)(H,33,36)/t21-/m0/s1
InChIKeyVKTTUNBICOMMSD-NRFANRHFSA-N
MW515.54 g/mol
LogP3.84
Rot. Bonds10

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

N-[[4-[[(2S)-1-amino-5-methyl-1-oxohexan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 155546916) has the molecular formula C26H28F3N5O3 and a molecular weight of 515.54 g/mol. Its IUPAC name is N-[[4-[[(2S)-1-amino-5-methyl-1-oxohexan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(2S)-1-amino-5-methyl-1-oxohexan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID155546916
Molecular FormulaC26H28F3N5O3
Molecular Weight515.54 g/mol
Exact Mass515.21
IUPAC NameN-[[4-[[(2S)-1-amino-5-methyl-1-oxohexan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)CC[C@H](NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1)C(N)=O
InChIInChI=1S/C26H28F3N5O3/c1-16(2)8-13-21(23(30)35)33-24(36)18-11-9-17(10-12-18)14-31-25(37)20-15-32-34(22(20)26(27,28)29)19-6-4-3-5-7-19/h3-7,9-12,15-16,21H,8,13-14H2,1-2H3,(H2,30,35)(H,31,37)(H,33,36)/t21-/m0/s1
InChIKeyVKTTUNBICOMMSD-NRFANRHFSA-N
XLogP3.84
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.54
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[4-[[(2S)-1-amino-5-methyl-1-oxohexan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
{[(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
Pyrazole diamide, 30
CID 24971322
N-[5-[[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 139030331
5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
CID 145994863
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-[[(2S)-1-amino-5-methyl-1-oxohexan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[[4-[[(2S)-1-amino-5-methyl-1-oxohexan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 155546916) is N-[[4-[[(2S)-1-amino-5-methyl-1-oxohexan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-[[(2S)-1-amino-5-methyl-1-oxohexan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[[4-[[(2S)-1-amino-5-methyl-1-oxohexan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)CC[C@H](NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1)C(N)=O.
What is the InChIKey of N-[[4-[[(2S)-1-amino-5-methyl-1-oxohexan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is VKTTUNBICOMMSD-NRFANRHFSA-N. The full InChI is InChI=1S/C26H28F3N5O3/c1-16(2)8-13-21(23(30)35)33-24(36)18-11-9-17(10-12-18)14-31-25(37)20-15-32-34(22(20)26(27,28)29)19-6-4-3-5-7-19/h3-7,9-12,15-16,21H,8,13-14H2,1-2H3,(H2,30,35)(H,31,37)(H,33,36)/t21-/m0/s1.
What are the key properties of N-[[4-[[(2S)-1-amino-5-methyl-1-oxohexan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[[4-[[(2S)-1-amino-5-methyl-1-oxohexan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 515.54 g/mol, XLogP of 3.84, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2S)-1-amino-5-methyl-1-oxohexan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 155546916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).