N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine

C15H12F3N3O — CID 162568313

IUPACN-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine
SMILESFC(F)(F)Oc1ccc(CNc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)22-13-4-1-10(2-5-13)8-19-12-3-6-14-11(7-12)9-20-21-14/h1-7,9,19H,8H2,(H,20,21)
InChIKeySLFQTHXKMBCBDN-UHFFFAOYSA-N
MW307.28 g/mol
LogP4.07
Rot. Bonds4

About N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine

N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine (PubChem CID 162568313) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine
PubChem CID162568313
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC NameN-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine
SMILESFC(F)(F)Oc1ccc(CNc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)22-13-4-1-10(2-5-13)8-19-12-3-6-14-11(7-12)9-20-21-14/h1-7,9,19H,8H2,(H,20,21)
InChIKeySLFQTHXKMBCBDN-UHFFFAOYSA-N
XLogP4.07
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine?
The IUPAC name of N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine (CID 162568313) is N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine is FC(F)(F)Oc1ccc(CNc2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine?
The InChIKey is SLFQTHXKMBCBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c16-15(17,18)22-13-4-1-10(2-5-13)8-19-12-3-6-14-11(7-12)9-20-21-14/h1-7,9,19H,8H2,(H,20,21).
What are the key properties of N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine?
N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine has a molecular weight of 307.28 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine is sourced from PubChem (CID 162568313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).