6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine

C21H15ClF3N3 — CID 10363703

IUPAC6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccc(CNc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C21H15ClF3N3/c22-18-11-19-17(10-16(18)14-4-2-1-3-5-14)20(28-27-19)26-12-13-6-8-15(9-7-13)21(23,24)25/h1-11H,12H2,(H2,26,27,28)
InChIKeyKHYIHPRVLSTVGV-UHFFFAOYSA-N
MW401.82 g/mol
LogP6.51
Rot. Bonds4

About 6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine

6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine (PubChem CID 10363703) has the molecular formula C21H15ClF3N3 and a molecular weight of 401.82 g/mol. Its IUPAC name is 6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
PubChem CID10363703
Molecular FormulaC21H15ClF3N3
Molecular Weight401.82 g/mol
Exact Mass401.09
IUPAC Name6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccc(CNc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)cc1
InChIInChI=1S/C21H15ClF3N3/c22-18-11-19-17(10-16(18)14-4-2-1-3-5-14)20(28-27-19)26-12-13-6-8-15(9-7-13)21(23,24)25/h1-11H,12H2,(H2,26,27,28)
InChIKeyKHYIHPRVLSTVGV-UHFFFAOYSA-N
XLogP6.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.82
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5-phenyl-N-(4,4,4-trifluorobutyl)-1H-indazol-3-amine
CID 10066676
6-chloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1H-indazol-3-amine;6-chloro-5-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-3-amine
CID 87956485
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
CID 171594927
6-chloro-N-(3-methylsulfanylpropyl)-5-phenyl-1H-indazol-3-amine
CID 10449405
N-(6-chloro-5-phenyl-1H-indazol-3-yl)-1-phenylmethanesulfonamide
CID 11741547
6-chloro-N-[(4-chlorophenyl)methyl]-7-fluoro-5-phenyl-1H-indazol-3-amine
CID 10091517
N-benzyl-5-chloro-1H-indazol-3-amine
CID 142275552
2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 46086055
4-(3-fluorophenyl)-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
CID 163368869
3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 62881850
5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine
CID 45484940
2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol
CID 142747576

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine?
The IUPAC name of 6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine (CID 10363703) is 6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine.
What is the SMILES notation for 6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine?
The canonical SMILES for 6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine is FC(F)(F)c1ccc(CNc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)cc1.
What is the InChIKey of 6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine?
The InChIKey is KHYIHPRVLSTVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3/c22-18-11-19-17(10-16(18)14-4-2-1-3-5-14)20(28-27-19)26-12-13-6-8-15(9-7-13)21(23,24)25/h1-11H,12H2,(H2,26,27,28).
What are the key properties of 6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine?
6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine has a molecular weight of 401.82 g/mol, XLogP of 6.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine is sourced from PubChem (CID 10363703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).