1-methyl-4-(trifluoromethyl)indazol-3-amine

C9H8F3N3 — CID 53403360

IUPAC1-methyl-4-(trifluoromethyl)indazol-3-amine
SMILESCn1nc(N)c2c(C(F)(F)F)cccc21
InChIInChI=1S/C9H8F3N3/c1-15-6-4-2-3-5(9(10,11)12)7(6)8(13)14-15/h2-4H,1H3,(H2,13,14)
InChIKeyJXLWMHSVDUDVAY-UHFFFAOYSA-N
MW215.18 g/mol
LogP2.17
Rot. Bonds

About 1-methyl-4-(trifluoromethyl)indazol-3-amine

1-methyl-4-(trifluoromethyl)indazol-3-amine (PubChem CID 53403360) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)indazol-3-amine.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)indazol-3-amine
PubChem CID53403360
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name1-methyl-4-(trifluoromethyl)indazol-3-amine
SMILESCn1nc(N)c2c(C(F)(F)F)cccc21
InChIInChI=1S/C9H8F3N3/c1-15-6-4-2-3-5(9(10,11)12)7(6)8(13)14-15/h2-4H,1H3,(H2,13,14)
InChIKeyJXLWMHSVDUDVAY-UHFFFAOYSA-N
XLogP2.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-7-(trifluoromethyl)indazol-3-amine
CID 53403363
1-methylpyrazolo[4,3-c]pyridine-3,4-diamine
CID 144514733
3-methyl-5-(trifluoromethyl)-1,2,3-benzotriazine-4-thione
CID 122431916
3-(1-fluoroethyl)-1-methylindazol-4-amine
CID 84664701
4-methyl-8-(trifluoromethyl)isoquinolin-1-amine
CID 115063049
4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine
CID 115063142
2-(3-chloro-1-methylindazol-4-yl)-2-methylpropan-1-ol
CID 117349904
3-methoxy-1-methylindazol-4-amine
CID 133061084
1-methyl-3-(trifluoromethyl)indazole
CID 83446574
1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-1-(4-methylphenyl)urea
CID 68613578
1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol
CID 117119526
1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117215894

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethyl)indazol-3-amine?
The IUPAC name of 1-methyl-4-(trifluoromethyl)indazol-3-amine (CID 53403360) is 1-methyl-4-(trifluoromethyl)indazol-3-amine.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)indazol-3-amine?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)indazol-3-amine is Cn1nc(N)c2c(C(F)(F)F)cccc21.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)indazol-3-amine?
The InChIKey is JXLWMHSVDUDVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c1-15-6-4-2-3-5(9(10,11)12)7(6)8(13)14-15/h2-4H,1H3,(H2,13,14).
What are the key properties of 1-methyl-4-(trifluoromethyl)indazol-3-amine?
1-methyl-4-(trifluoromethyl)indazol-3-amine has a molecular weight of 215.18 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)indazol-3-amine is sourced from PubChem (CID 53403360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).