N-(5-cyano-2-phenylindazol-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C26H17F3N6O — CID 118393636

IUPACN-(5-cyano-2-phenylindazol-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c4cc(C#N)ccc4nn3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C26H17F3N6O/c1-34-12-11-23(32-34)19-14-17(8-9-21(19)26(27,28)29)25(36)31-24-20-13-16(15-30)7-10-22(20)33-35(24)18-5-3-2-4-6-18/h2-14H,1H3,(H,31,36)
InChIKeyZJANXHIOPJZRFG-UHFFFAOYSA-N
MW486.46 g/mol
LogP5.57
Rot. Bonds4

About N-(5-cyano-2-phenylindazol-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-(5-cyano-2-phenylindazol-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118393636) has the molecular formula C26H17F3N6O and a molecular weight of 486.46 g/mol. Its IUPAC name is N-(5-cyano-2-phenylindazol-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-cyano-2-phenylindazol-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118393636
Molecular FormulaC26H17F3N6O
Molecular Weight486.46 g/mol
Exact Mass486.14
IUPAC NameN-(5-cyano-2-phenylindazol-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c4cc(C#N)ccc4nn3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C26H17F3N6O/c1-34-12-11-23(32-34)19-14-17(8-9-21(19)26(27,28)29)25(36)31-24-20-13-16(15-30)7-10-22(20)33-35(24)18-5-3-2-4-6-18/h2-14H,1H3,(H,31,36)
InChIKeyZJANXHIOPJZRFG-UHFFFAOYSA-N
XLogP5.57
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.46
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-phenylindazol-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-cyano-2-phenylindazol-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118393636) is N-(5-cyano-2-phenylindazol-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-cyano-2-phenylindazol-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-cyano-2-phenylindazol-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3c4cc(C#N)ccc4nn3-c3ccccc3)ccc2C(F)(F)F)n1.
What is the InChIKey of N-(5-cyano-2-phenylindazol-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is ZJANXHIOPJZRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N6O/c1-34-12-11-23(32-34)19-14-17(8-9-21(19)26(27,28)29)25(36)31-24-20-13-16(15-30)7-10-22(20)33-35(24)18-5-3-2-4-6-18/h2-14H,1H3,(H,31,36).
What are the key properties of N-(5-cyano-2-phenylindazol-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-(5-cyano-2-phenylindazol-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 486.46 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-phenylindazol-3-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118393636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).