1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)indazol-3-amine

C22H24F3N3O — CID 155536364

IUPAC1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)indazol-3-amine
SMILESCOc1ccc(CNc2nn(C3CCCCC3)c3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C22H24F3N3O/c1-29-18-10-7-15(8-11-18)14-26-21-19-13-16(22(23,24)25)9-12-20(19)28(27-21)17-5-3-2-4-6-17/h7-13,17H,2-6,14H2,1H3,(H,26,27)
InChIKeyPIBWCJNGVYSCFB-UHFFFAOYSA-N
MW403.45 g/mol
LogP6.18
Rot. Bonds5

About 1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)indazol-3-amine

1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)indazol-3-amine (PubChem CID 155536364) has the molecular formula C22H24F3N3O and a molecular weight of 403.45 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)indazol-3-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)indazol-3-amine
PubChem CID155536364
Molecular FormulaC22H24F3N3O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)indazol-3-amine
SMILESCOc1ccc(CNc2nn(C3CCCCC3)c3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C22H24F3N3O/c1-29-18-10-7-15(8-11-18)14-26-21-19-13-16(22(23,24)25)9-12-20(19)28(27-21)17-5-3-2-4-6-17/h7-13,17H,2-6,14H2,1H3,(H,26,27)
InChIKeyPIBWCJNGVYSCFB-UHFFFAOYSA-N
XLogP6.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.45
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-methyl-N-(2-methyl-2-phenylpropyl)indazol-3-amine
CID 16050947
N-[(3-chloro-4-methoxyphenyl)methyl]-1-cyclopentyl-5-(trifluoromethyl)indazol-3-amine
CID 155517262
US10173985, Example 12
CID 122574347
1-benzyl-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)indazol-3-amine
CID 155521988
N-[(4-methoxyphenyl)methyl]-1-phenyl-5-(trifluoromethyl)indazol-3-amine
CID 155526400
1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)indazol-3-amine
CID 155533790
1-cyclopentyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-(trifluoromethyl)indazol-3-amine
CID 155535883
N-[(4-methoxyphenyl)methyl]-1-pyridin-3-yl-5-(trifluoromethyl)indazol-3-amine
CID 155566968
6-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine
CID 164621773
1-Isopropyl-4-methoxy-n-(2-methyl-2-phenylpropyl)-1h-indazol-3-amine
CID 16050949
US10173985, Example 57
CID 122574365
US10173985, Example 82
CID 122574483

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)indazol-3-amine?
The IUPAC name of 1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)indazol-3-amine (CID 155536364) is 1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)indazol-3-amine.
What is the SMILES notation for 1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)indazol-3-amine?
The canonical SMILES for 1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)indazol-3-amine is COc1ccc(CNc2nn(C3CCCCC3)c3ccc(C(F)(F)F)cc23)cc1.
What is the InChIKey of 1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)indazol-3-amine?
The InChIKey is PIBWCJNGVYSCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O/c1-29-18-10-7-15(8-11-18)14-26-21-19-13-16(22(23,24)25)9-12-20(19)28(27-21)17-5-3-2-4-6-17/h7-13,17H,2-6,14H2,1H3,(H,26,27).
What are the key properties of 1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)indazol-3-amine?
1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)indazol-3-amine has a molecular weight of 403.45 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)indazol-3-amine is sourced from PubChem (CID 155536364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).