N-[[(2R)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine

C13H15F3N4 — CID 130335354

IUPACN-[[(2R)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
SMILESFC(F)(F)c1cc(NC[C@H]2CCCN2)c2cn[nH]c2c1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)8-4-11(10-7-19-20-12(10)5-8)18-6-9-2-1-3-17-9/h4-5,7,9,17-18H,1-3,6H2,(H,19,20)/t9-/m1/s1
InChIKeyRCCAGXPMHDFDHU-SECBINFHSA-N
MW284.28 g/mol
LogP2.75
Rot. Bonds3

About N-[[(2R)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine

N-[[(2R)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine (PubChem CID 130335354) has the molecular formula C13H15F3N4 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-[[(2R)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine.

Molecular Properties

Compound NameN-[[(2R)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
PubChem CID130335354
Molecular FormulaC13H15F3N4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC NameN-[[(2R)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
SMILESFC(F)(F)c1cc(NC[C@H]2CCCN2)c2cn[nH]c2c1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)8-4-11(10-7-19-20-12(10)5-8)18-6-9-2-1-3-17-9/h4-5,7,9,17-18H,1-3,6H2,(H,19,20)/t9-/m1/s1
InChIKeyRCCAGXPMHDFDHU-SECBINFHSA-N
XLogP2.75
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine?
The IUPAC name of N-[[(2R)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine (CID 130335354) is N-[[(2R)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine.
What is the SMILES notation for N-[[(2R)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine?
The canonical SMILES for N-[[(2R)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine is FC(F)(F)c1cc(NC[C@H]2CCCN2)c2cn[nH]c2c1.
What is the InChIKey of N-[[(2R)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine?
The InChIKey is RCCAGXPMHDFDHU-SECBINFHSA-N. The full InChI is InChI=1S/C13H15F3N4/c14-13(15,16)8-4-11(10-7-19-20-12(10)5-8)18-6-9-2-1-3-17-9/h4-5,7,9,17-18H,1-3,6H2,(H,19,20)/t9-/m1/s1.
What are the key properties of N-[[(2R)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine?
N-[[(2R)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine has a molecular weight of 284.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine is sourced from PubChem (CID 130335354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).