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

C15H12F3N3 — CID 5333527

IUPACN-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine
SMILESFC(F)(F)c1ccc(CNc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C15H12F3N3/c16-15(17,18)12-4-1-10(2-5-12)8-19-13-6-3-11-9-20-21-14(11)7-13/h1-7,9,19H,8H2,(H,20,21)
InChIKeyNDUBTOLJCSHXED-UHFFFAOYSA-N
MW291.28 g/mol
LogP4.19
Rot. Bonds3

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

N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine (PubChem CID 5333527) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine
PubChem CID5333527
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine
SMILESFC(F)(F)c1ccc(CNc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C15H12F3N3/c16-15(17,18)12-4-1-10(2-5-12)8-19-13-6-3-11-9-20-21-14(11)7-13/h1-7,9,19H,8H2,(H,20,21)
InChIKeyNDUBTOLJCSHXED-UHFFFAOYSA-N
XLogP4.19
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine
CID 43743407
N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine
CID 43229901
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
CID 43231004
N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine
CID 43790642
1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896278
N-[(4-prop-2-enoxyphenyl)methyl]-1H-indazol-6-amine
CID 43743374
N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine
CID 162568313
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
N-[(1-ethylpyrazol-4-yl)methyl]-1H-indazol-6-amine
CID 103569324
4-[(1H-indazol-5-ylamino)methyl]benzoic acid
CID 65347918
N-(naphthalen-2-ylmethyl)-1H-indazol-5-amine
CID 762796
N-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine
CID 106675315

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine (CID 5333527) is N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine is FC(F)(F)c1ccc(CNc2ccc3cn[nH]c3c2)cc1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine?
The InChIKey is NDUBTOLJCSHXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c16-15(17,18)12-4-1-10(2-5-12)8-19-13-6-3-11-9-20-21-14(11)7-13/h1-7,9,19H,8H2,(H,20,21).
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine?
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine has a molecular weight of 291.28 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine is sourced from PubChem (CID 5333527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).