1-(3,4-dichlorophenyl)indazole-4-carboxylic acid;[3-(trifluoromethyl)phenyl]methylazanide

C22H15Cl2F3N3O2- — CID 162076210

IUPAC1-(3,4-dichlorophenyl)indazole-4-carboxylic acid;[3-(trifluoromethyl)phenyl]methylazanide
SMILESO=C(O)c1cccc2c1cnn2-c1ccc(Cl)c(Cl)c1.[NH-]Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8Cl2N2O2.C8H7F3N/c15-11-5-4-8(6-12(11)16)18-13-3-1-2-9(14(19)20)10(13)7-17-18;9-8(10,11)7-3-1-2-6(4-7)5-12/h1-7H,(H,19,20);1-4,12H,5H2/q;-1
InChIKeyZBSUCDBJVHVBLA-UHFFFAOYSA-N
MW481.28 g/mol
LogP7.29
Rot. Bonds3

About 1-(3,4-dichlorophenyl)indazole-4-carboxylic acid;[3-(trifluoromethyl)phenyl]methylazanide

1-(3,4-dichlorophenyl)indazole-4-carboxylic acid;[3-(trifluoromethyl)phenyl]methylazanide (PubChem CID 162076210) has the molecular formula C22H15Cl2F3N3O2- and a molecular weight of 481.28 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)indazole-4-carboxylic acid;[3-(trifluoromethyl)phenyl]methylazanide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)indazole-4-carboxylic acid;[3-(trifluoromethyl)phenyl]methylazanide
PubChem CID162076210
Molecular FormulaC22H15Cl2F3N3O2-
Molecular Weight481.28 g/mol
Exact Mass480.05
IUPAC Name1-(3,4-dichlorophenyl)indazole-4-carboxylic acid;[3-(trifluoromethyl)phenyl]methylazanide
SMILESO=C(O)c1cccc2c1cnn2-c1ccc(Cl)c(Cl)c1.[NH-]Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8Cl2N2O2.C8H7F3N/c15-11-5-4-8(6-12(11)16)18-13-3-1-2-9(14(19)20)10(13)7-17-18;9-8(10,11)7-3-1-2-6(4-7)5-12/h1-7H,(H,19,20);1-4,12H,5H2/q;-1
InChIKeyZBSUCDBJVHVBLA-UHFFFAOYSA-N
XLogP7.29
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.28
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[[1-(3,4-dichlorophenyl)indazol-4-yl]-(oxiran-2-ylidene)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 143887523
(Z)-1-(1-phenylindazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-1-en-1-amine
CID 70952330
1-(4-fluorophenyl)indazole-4-carboxylic acid
CID 58138774
5-[(butanoylamino)methyl]-2-chloro-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide
CID 168968124
2-chloro-5-indazol-1-ylbenzoic acid
CID 82514553
2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 82108139
1-(3,4-dichlorophenyl)-3-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 42662978
1-(3-chlorophenyl)-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136637443
4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 117232945
N-benzyl-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25470234
4-[6-benzyl-1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 46074532
6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid
CID 70280706

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)indazole-4-carboxylic acid;[3-(trifluoromethyl)phenyl]methylazanide?
The IUPAC name of 1-(3,4-dichlorophenyl)indazole-4-carboxylic acid;[3-(trifluoromethyl)phenyl]methylazanide (CID 162076210) is 1-(3,4-dichlorophenyl)indazole-4-carboxylic acid;[3-(trifluoromethyl)phenyl]methylazanide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)indazole-4-carboxylic acid;[3-(trifluoromethyl)phenyl]methylazanide?
The canonical SMILES for 1-(3,4-dichlorophenyl)indazole-4-carboxylic acid;[3-(trifluoromethyl)phenyl]methylazanide is O=C(O)c1cccc2c1cnn2-c1ccc(Cl)c(Cl)c1.[NH-]Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)indazole-4-carboxylic acid;[3-(trifluoromethyl)phenyl]methylazanide?
The InChIKey is ZBSUCDBJVHVBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2.C8H7F3N/c15-11-5-4-8(6-12(11)16)18-13-3-1-2-9(14(19)20)10(13)7-17-18;9-8(10,11)7-3-1-2-6(4-7)5-12/h1-7H,(H,19,20);1-4,12H,5H2/q;-1.
What are the key properties of 1-(3,4-dichlorophenyl)indazole-4-carboxylic acid;[3-(trifluoromethyl)phenyl]methylazanide?
1-(3,4-dichlorophenyl)indazole-4-carboxylic acid;[3-(trifluoromethyl)phenyl]methylazanide has a molecular weight of 481.28 g/mol, XLogP of 7.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)indazole-4-carboxylic acid;[3-(trifluoromethyl)phenyl]methylazanide is sourced from PubChem (CID 162076210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).