2-methyl-N-[1-oxo-3,3-diphenyl-1-[4-[3-(trifluoromethyl)-4-pyridinyl]anilino]propan-2-yl]pyrazole-3-carboxamide

C32H26F3N5O2 — CID 170000816

IUPAC2-methyl-N-[1-oxo-3,3-diphenyl-1-[4-[3-(trifluoromethyl)-4-pyridinyl]anilino]propan-2-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC(C(=O)Nc1ccc(-c2ccncc2C(F)(F)F)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H26F3N5O2/c1-40-27(17-19-37-40)30(41)39-29(28(22-8-4-2-5-9-22)23-10-6-3-7-11-23)31(42)38-24-14-12-21(13-15-24)25-16-18-36-20-26(25)32(33,34)35/h2-20,28-29H,1H3,(H,38,42)(H,39,41)
InChIKeyFSHCPHDNHYVSPQ-UHFFFAOYSA-N
MW569.59 g/mol
LogP6.07
Rot. Bonds8

About 2-methyl-N-[1-oxo-3,3-diphenyl-1-[4-[3-(trifluoromethyl)-4-pyridinyl]anilino]propan-2-yl]pyrazole-3-carboxamide

2-methyl-N-[1-oxo-3,3-diphenyl-1-[4-[3-(trifluoromethyl)-4-pyridinyl]anilino]propan-2-yl]pyrazole-3-carboxamide (PubChem CID 170000816) has the molecular formula C32H26F3N5O2 and a molecular weight of 569.59 g/mol. Its IUPAC name is 2-methyl-N-[1-oxo-3,3-diphenyl-1-[4-[3-(trifluoromethyl)-4-pyridinyl]anilino]propan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-oxo-3,3-diphenyl-1-[4-[3-(trifluoromethyl)-4-pyridinyl]anilino]propan-2-yl]pyrazole-3-carboxamide
PubChem CID170000816
Molecular FormulaC32H26F3N5O2
Molecular Weight569.59 g/mol
Exact Mass569.20
IUPAC Name2-methyl-N-[1-oxo-3,3-diphenyl-1-[4-[3-(trifluoromethyl)-4-pyridinyl]anilino]propan-2-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC(C(=O)Nc1ccc(-c2ccncc2C(F)(F)F)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H26F3N5O2/c1-40-27(17-19-37-40)30(41)39-29(28(22-8-4-2-5-9-22)23-10-6-3-7-11-23)31(42)38-24-14-12-21(13-15-24)25-16-18-36-20-26(25)32(33,34)35/h2-20,28-29H,1H3,(H,38,42)(H,39,41)
InChIKeyFSHCPHDNHYVSPQ-UHFFFAOYSA-N
XLogP6.07
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.59
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-[4-(3-fluoro-4-pyridinyl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 162362369
2-methyl-N-[1-[4-(4-methyl-6-oxo-1H-pyridin-3-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]pyrazole-3-carboxamide
CID 170001092
N-[(2S)-1-[3-fluoro-4-(6-oxo-1H-pyridazin-4-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 162362444
N-[(2S)-1-[4-(1-benzyl-3,5-dimethylpyrazol-4-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 167525782
N-[(2S)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxyanilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 156779224
N-[(2S)-1-[3-fluoro-4-(2-oxo-3,4-dihydro-1H-pyrimidin-5-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 168862323
N-[(2S)-1-[4-(1-benzyl-6-oxo-2-pyridinyl)-3-fluoroanilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 167525909
N-[1-[3-fluoro-4-(4-oxo-3,5-dihydroimidazo[4,5-c]pyridin-7-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 168846690
N-[1-[3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 175155608
tert-butyl N-[(2S)-1-[4-[3-(dimethylamino)-4-pyridinyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
CID 167525737
butoxy-[[3,5-dimethyl-4-[4-[[(2S)-2-[(2-methylpyrazole-3-carbonyl)amino]-3,3-diphenylpropanoyl]amino]phenyl]pyrazol-1-yl]methoxy]-hydroxy-[(2-methylpropan-2-yl)oxy]phosphanium
CID 163511812
N-[1-cyclopropyl-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxo-1-phenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 154944185

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-oxo-3,3-diphenyl-1-[4-[3-(trifluoromethyl)-4-pyridinyl]anilino]propan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-oxo-3,3-diphenyl-1-[4-[3-(trifluoromethyl)-4-pyridinyl]anilino]propan-2-yl]pyrazole-3-carboxamide (CID 170000816) is 2-methyl-N-[1-oxo-3,3-diphenyl-1-[4-[3-(trifluoromethyl)-4-pyridinyl]anilino]propan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-oxo-3,3-diphenyl-1-[4-[3-(trifluoromethyl)-4-pyridinyl]anilino]propan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-oxo-3,3-diphenyl-1-[4-[3-(trifluoromethyl)-4-pyridinyl]anilino]propan-2-yl]pyrazole-3-carboxamide is Cn1nccc1C(=O)NC(C(=O)Nc1ccc(-c2ccncc2C(F)(F)F)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-N-[1-oxo-3,3-diphenyl-1-[4-[3-(trifluoromethyl)-4-pyridinyl]anilino]propan-2-yl]pyrazole-3-carboxamide?
The InChIKey is FSHCPHDNHYVSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F3N5O2/c1-40-27(17-19-37-40)30(41)39-29(28(22-8-4-2-5-9-22)23-10-6-3-7-11-23)31(42)38-24-14-12-21(13-15-24)25-16-18-36-20-26(25)32(33,34)35/h2-20,28-29H,1H3,(H,38,42)(H,39,41).
What are the key properties of 2-methyl-N-[1-oxo-3,3-diphenyl-1-[4-[3-(trifluoromethyl)-4-pyridinyl]anilino]propan-2-yl]pyrazole-3-carboxamide?
2-methyl-N-[1-oxo-3,3-diphenyl-1-[4-[3-(trifluoromethyl)-4-pyridinyl]anilino]propan-2-yl]pyrazole-3-carboxamide has a molecular weight of 569.59 g/mol, XLogP of 6.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-oxo-3,3-diphenyl-1-[4-[3-(trifluoromethyl)-4-pyridinyl]anilino]propan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 170000816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).