N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-3-carboxamide

C32H26F3N5O2 — CID 118366030

IUPACN-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-3-carboxamide
SMILESCNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NC(=O)c3cccnc3)cc2)n1
InChIInChI=1S/C32H26F3N5O2/c1-36-30(41)17-14-27-19-29(23-6-4-21(5-7-23)22-8-10-25(11-9-22)32(33,34)35)40(39-27)28-15-12-26(13-16-28)38-31(42)24-3-2-18-37-20-24/h2-13,15-16,18-20H,14,17H2,1H3,(H,36,41)(H,38,42)
InChIKeyZIWKTEVLTOZPTN-UHFFFAOYSA-N
MW569.59 g/mol
LogP6.55
Rot. Bonds8

About N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-3-carboxamide

N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 118366030) has the molecular formula C32H26F3N5O2 and a molecular weight of 569.59 g/mol. Its IUPAC name is N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID118366030
Molecular FormulaC32H26F3N5O2
Molecular Weight569.59 g/mol
Exact Mass569.20
IUPAC NameN-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-3-carboxamide
SMILESCNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NC(=O)c3cccnc3)cc2)n1
InChIInChI=1S/C32H26F3N5O2/c1-36-30(41)17-14-27-19-29(23-6-4-21(5-7-23)22-8-10-25(11-9-22)32(33,34)35)40(39-27)28-15-12-26(13-16-28)38-31(42)24-3-2-18-37-20-24/h2-13,15-16,18-20H,14,17H2,1H3,(H,36,41)(H,38,42)
InChIKeyZIWKTEVLTOZPTN-UHFFFAOYSA-N
XLogP6.55
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 ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[4-(tert-butylcarbamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide
CID 118366024
3-[1-[4-(dimethylsulfamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide
CID 118366027
N-methyl-3-[1-(4-nitrophenyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propanamide
CID 54577458
3-[1-[4-[4-(aminomethyl)triazol-1-yl]phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide
CID 118374821
3-[1-[4-[4-(methanesulfonamidomethyl)triazol-1-yl]phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide
CID 73051542
2-methyl-N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]cyclohexa-1,5-dien-1-yl]pyrazol-1-yl]phenyl]pyridine-4-carboxamide
CID 123878143
N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 10227427
N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide
CID 123902147
N-[(3,5-difluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide
CID 56602623
3-[1-[4-[4-(methanesulfonamidomethyl)triazol-1-yl]phenyl]-5-[4-(4-methylphenyl)phenyl]pyrazol-3-yl]-N-methylpropanamide
CID 118372519
2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid
CID 75539634
N-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide
CID 154193724

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-3-carboxamide (CID 118366030) is N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-3-carboxamide is CNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NC(=O)c3cccnc3)cc2)n1.
What is the InChIKey of N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is ZIWKTEVLTOZPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F3N5O2/c1-36-30(41)17-14-27-19-29(23-6-4-21(5-7-23)22-8-10-25(11-9-22)32(33,34)35)40(39-27)28-15-12-26(13-16-28)38-31(42)24-3-2-18-37-20-24/h2-13,15-16,18-20H,14,17H2,1H3,(H,36,41)(H,38,42).
What are the key properties of N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 569.59 g/mol, XLogP of 6.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118366030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).