[1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine

C15H13F2N3 — CID 82925613

IUPAC[1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine
SMILESNCc1nn(Cc2ccc(F)c(F)c2)c2ccccc12
InChIInChI=1S/C15H13F2N3/c16-12-6-5-10(7-13(12)17)9-20-15-4-2-1-3-11(15)14(8-18)19-20/h1-7H,8-9,18H2
InChIKeyHQLRMYVTQVRAEO-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.82
Rot. Bonds3

About [1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine

[1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine (PubChem CID 82925613) has the molecular formula C15H13F2N3 and a molecular weight of 273.29 g/mol. Its IUPAC name is [1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine
PubChem CID82925613
Molecular FormulaC15H13F2N3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name[1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine
SMILESNCc1nn(Cc2ccc(F)c(F)c2)c2ccccc12
InChIInChI=1S/C15H13F2N3/c16-12-6-5-10(7-13(12)17)9-20-15-4-2-1-3-11(15)14(8-18)19-20/h1-7H,8-9,18H2
InChIKeyHQLRMYVTQVRAEO-UHFFFAOYSA-N
XLogP2.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine?
The IUPAC name of [1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine (CID 82925613) is [1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine.
What is the SMILES notation for [1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine?
The canonical SMILES for [1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine is NCc1nn(Cc2ccc(F)c(F)c2)c2ccccc12.
What is the InChIKey of [1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine?
The InChIKey is HQLRMYVTQVRAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3/c16-12-6-5-10(7-13(12)17)9-20-15-4-2-1-3-11(15)14(8-18)19-20/h1-7H,8-9,18H2.
What are the key properties of [1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine?
[1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine has a molecular weight of 273.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine is sourced from PubChem (CID 82925613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).