N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine

C15H11F3N4O2 — CID 130335540

IUPACN-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
SMILESO=[N+]([O-])c1cccc(CNc2cc(C(F)(F)F)cc3[nH]ncc23)c1
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)10-5-13(12-8-20-21-14(12)6-10)19-7-9-2-1-3-11(4-9)22(23)24/h1-6,8,19H,7H2,(H,20,21)
InChIKeyHAQHXRVCQGZKTN-UHFFFAOYSA-N
MW336.27 g/mol
LogP4.10
Rot. Bonds4

About N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine

N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine (PubChem CID 130335540) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine.

Molecular Properties

Compound NameN-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
PubChem CID130335540
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC NameN-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
SMILESO=[N+]([O-])c1cccc(CNc2cc(C(F)(F)F)cc3[nH]ncc23)c1
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)10-5-13(12-8-20-21-14(12)6-10)19-7-9-2-1-3-11(4-9)22(23)24/h1-6,8,19H,7H2,(H,20,21)
InChIKeyHAQHXRVCQGZKTN-UHFFFAOYSA-N
XLogP4.10
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine 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

3-1H-indazol-4-yl-1-{[4-(trifluoromethyl)phenyl]methyl}urea
CID 11416356
N-[1-(3-nitrobenzyl)-3-piperidyl]-N-(1H-5-indazolyl)amine
CID 21098512
N-(1-(4-nitrobenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098530
N-[[(2R)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
CID 130335568
Tdo-IN-1
CID 165412459
N-[(4-methylsulfonyl-2-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
CID 168280777
N-[(5-chloro-2-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
CID 168287331
N-[(3-chloro-2-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
CID 168288615
N-[[(2R)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
CID 130335354
6-bromo-N-[(4-nitrophenyl)methyl]-1H-indazol-4-amine
CID 130335527
N-[(3-aminophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
CID 130335541
N-[[(2S)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
CID 130335569

Frequently Asked Questions

What is the IUPAC name of N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine?
The IUPAC name of N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine (CID 130335540) is N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine.
What is the SMILES notation for N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine?
The canonical SMILES for N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine is O=[N+]([O-])c1cccc(CNc2cc(C(F)(F)F)cc3[nH]ncc23)c1.
What is the InChIKey of N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine?
The InChIKey is HAQHXRVCQGZKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c16-15(17,18)10-5-13(12-8-20-21-14(12)6-10)19-7-9-2-1-3-11(4-9)22(23)24/h1-6,8,19H,7H2,(H,20,21).
What are the key properties of N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine?
N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine has a molecular weight of 336.27 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-1H-indazol-4-amine is sourced from PubChem (CID 130335540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).