N-[1-[4-(trifluoromethyl)phenyl]indazol-6-yl]prop-2-enamide

C17H12F3N3O — CID 169173148

IUPACN-[1-[4-(trifluoromethyl)phenyl]indazol-6-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2cnn(-c3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C17H12F3N3O/c1-2-16(24)22-13-6-3-11-10-21-23(15(11)9-13)14-7-4-12(5-8-14)17(18,19)20/h2-10H,1H2,(H,22,24)
InChIKeyWSZJFZNTOKNAJR-UHFFFAOYSA-N
MW331.30 g/mol
LogP4.17
Rot. Bonds3

About N-[1-[4-(trifluoromethyl)phenyl]indazol-6-yl]prop-2-enamide

N-[1-[4-(trifluoromethyl)phenyl]indazol-6-yl]prop-2-enamide (PubChem CID 169173148) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethyl)phenyl]indazol-6-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethyl)phenyl]indazol-6-yl]prop-2-enamide
PubChem CID169173148
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC NameN-[1-[4-(trifluoromethyl)phenyl]indazol-6-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2cnn(-c3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C17H12F3N3O/c1-2-16(24)22-13-6-3-11-10-21-23(15(11)9-13)14-7-4-12(5-8-14)17(18,19)20/h2-10H,1H2,(H,22,24)
InChIKeyWSZJFZNTOKNAJR-UHFFFAOYSA-N
XLogP4.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-(trifluoromethyl)phenyl]indazol-5-amine
CID 83414547
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-pyrazolo[4,5-c]pyridin-1-ylphenyl)urea
CID 53492106
N-[1-(4-fluorophenyl)indol-5-yl]prop-2-enamide
CID 156881349
N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 175755920
1-[4-(pyridine-4-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 75429394
N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]naphthalen-2-yl]prop-2-enamide
CID 166924895
N-[3-[1-(2-methoxyethyl)imidazol-4-yl]-1-[4-(trifluoromethyl)phenyl]indol-5-yl]prop-2-enamide
CID 171514620
N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]prop-2-enamide
CID 169173098
N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridin-5-yl]prop-2-enamide
CID 169173159
N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 13411359
N-[1-[4-(trifluoromethyl)phenyl]indol-5-yl]but-3-enamide
CID 156881407
N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide
CID 166924916

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethyl)phenyl]indazol-6-yl]prop-2-enamide?
The IUPAC name of N-[1-[4-(trifluoromethyl)phenyl]indazol-6-yl]prop-2-enamide (CID 169173148) is N-[1-[4-(trifluoromethyl)phenyl]indazol-6-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[4-(trifluoromethyl)phenyl]indazol-6-yl]prop-2-enamide?
The canonical SMILES for N-[1-[4-(trifluoromethyl)phenyl]indazol-6-yl]prop-2-enamide is C=CC(=O)Nc1ccc2cnn(-c3ccc(C(F)(F)F)cc3)c2c1.
What is the InChIKey of N-[1-[4-(trifluoromethyl)phenyl]indazol-6-yl]prop-2-enamide?
The InChIKey is WSZJFZNTOKNAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c1-2-16(24)22-13-6-3-11-10-21-23(15(11)9-13)14-7-4-12(5-8-14)17(18,19)20/h2-10H,1H2,(H,22,24).
What are the key properties of N-[1-[4-(trifluoromethyl)phenyl]indazol-6-yl]prop-2-enamide?
N-[1-[4-(trifluoromethyl)phenyl]indazol-6-yl]prop-2-enamide has a molecular weight of 331.30 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethyl)phenyl]indazol-6-yl]prop-2-enamide is sourced from PubChem (CID 169173148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).