N-[4-chloro-3-(trifluoromethyl)phenyl]-6-nitroindazole-1-carboxamide

C15H8ClF3N4O3 — CID 134086690

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-6-nitroindazole-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)n1ncc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C15H8ClF3N4O3/c16-12-4-2-9(5-11(12)15(17,18)19)21-14(24)22-13-6-10(23(25)26)3-1-8(13)7-20-22/h1-7H,(H,21,24)
InChIKeyFBOWNVSBEVBMFY-UHFFFAOYSA-N
MW384.70 g/mol
LogP4.70
Rot. Bonds2

About N-[4-chloro-3-(trifluoromethyl)phenyl]-6-nitroindazole-1-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-6-nitroindazole-1-carboxamide (PubChem CID 134086690) has the molecular formula C15H8ClF3N4O3 and a molecular weight of 384.70 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-nitroindazole-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-nitroindazole-1-carboxamide
PubChem CID134086690
Molecular FormulaC15H8ClF3N4O3
Molecular Weight384.70 g/mol
Exact Mass384.02
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-nitroindazole-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)n1ncc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C15H8ClF3N4O3/c16-12-4-2-9(5-11(12)15(17,18)19)21-14(24)22-13-6-10(23(25)26)3-1-8(13)7-20-22/h1-7H,(H,21,24)
InChIKeyFBOWNVSBEVBMFY-UHFFFAOYSA-N
XLogP4.70
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.70
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-6-nitroindazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-Chloroindazol-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 53492311
5-chloro-N-(2-methylphenyl)-1H-indazole-1-carboxamide
CID 22510510
5-chloro-N-(2-fluorophenyl)-1H-indazole-1-carboxamide
CID 22510699
5-chloro-N-(2-chloro-4-fluorophenyl)-1H-indazole-1-carboxamide
CID 16016913
1-[4-(4-Chloroindazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 53492243
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[4-(4-fluoroindazol-1-yl)phenyl]urea
CID 53492244
5-chloro-N-(2,5-dimethylphenyl)-1H-indazole-1-carboxamide
CID 16016791
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(4-indazol-1-ylphenyl)urea
CID 71580411
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[4-[4-(methylamino)indazol-1-yl]phenyl]urea
CID 71580412
5-chloro-N-[2-(trifluoromethyl)phenyl]-1H-indazole-1-carboxamide
CID 16016815
5-chloro-N-(4-fluorophenyl)-1H-indazole-1-carboxamide
CID 22510418
5-(2-chloro-4-nitrophenyl)-N-phenylpyrazole-1-carboxamide
CID 2824233

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-nitroindazole-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-nitroindazole-1-carboxamide (CID 134086690) is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-nitroindazole-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-nitroindazole-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-nitroindazole-1-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)n1ncc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-nitroindazole-1-carboxamide?
The InChIKey is FBOWNVSBEVBMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N4O3/c16-12-4-2-9(5-11(12)15(17,18)19)21-14(24)22-13-6-10(23(25)26)3-1-8(13)7-20-22/h1-7H,(H,21,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-nitroindazole-1-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-nitroindazole-1-carboxamide has a molecular weight of 384.70 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-nitroindazole-1-carboxamide is sourced from PubChem (CID 134086690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).