1-[4-chloro-7-(3,5-difluorophenyl)-1-methylindazol-6-yl]ethanamine

C16H14ClF2N3 — CID 58368622

IUPAC1-[4-chloro-7-(3,5-difluorophenyl)-1-methylindazol-6-yl]ethanamine
SMILESCC(N)c1cc(Cl)c2cnn(C)c2c1-c1cc(F)cc(F)c1
InChIInChI=1S/C16H14ClF2N3/c1-8(20)12-6-14(17)13-7-21-22(2)16(13)15(12)9-3-10(18)5-11(19)4-9/h3-8H,20H2,1-2H3
InChIKeyFHVYUYHDQJCQMV-UHFFFAOYSA-N
MW321.76 g/mol
LogP4.19
Rot. Bonds2

About 1-[4-chloro-7-(3,5-difluorophenyl)-1-methylindazol-6-yl]ethanamine

1-[4-chloro-7-(3,5-difluorophenyl)-1-methylindazol-6-yl]ethanamine (PubChem CID 58368622) has the molecular formula C16H14ClF2N3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 1-[4-chloro-7-(3,5-difluorophenyl)-1-methylindazol-6-yl]ethanamine.

Molecular Properties

Compound Name1-[4-chloro-7-(3,5-difluorophenyl)-1-methylindazol-6-yl]ethanamine
PubChem CID58368622
Molecular FormulaC16H14ClF2N3
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC Name1-[4-chloro-7-(3,5-difluorophenyl)-1-methylindazol-6-yl]ethanamine
SMILESCC(N)c1cc(Cl)c2cnn(C)c2c1-c1cc(F)cc(F)c1
InChIInChI=1S/C16H14ClF2N3/c1-8(20)12-6-14(17)13-7-21-22(2)16(13)15(12)9-3-10(18)5-11(19)4-9/h3-8H,20H2,1-2H3
InChIKeyFHVYUYHDQJCQMV-UHFFFAOYSA-N
XLogP4.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-7-(3,5-difluorophenyl)-1-methylindazol-6-yl]ethanamine?
The IUPAC name of 1-[4-chloro-7-(3,5-difluorophenyl)-1-methylindazol-6-yl]ethanamine (CID 58368622) is 1-[4-chloro-7-(3,5-difluorophenyl)-1-methylindazol-6-yl]ethanamine.
What is the SMILES notation for 1-[4-chloro-7-(3,5-difluorophenyl)-1-methylindazol-6-yl]ethanamine?
The canonical SMILES for 1-[4-chloro-7-(3,5-difluorophenyl)-1-methylindazol-6-yl]ethanamine is CC(N)c1cc(Cl)c2cnn(C)c2c1-c1cc(F)cc(F)c1.
What is the InChIKey of 1-[4-chloro-7-(3,5-difluorophenyl)-1-methylindazol-6-yl]ethanamine?
The InChIKey is FHVYUYHDQJCQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N3/c1-8(20)12-6-14(17)13-7-21-22(2)16(13)15(12)9-3-10(18)5-11(19)4-9/h3-8H,20H2,1-2H3.
What are the key properties of 1-[4-chloro-7-(3,5-difluorophenyl)-1-methylindazol-6-yl]ethanamine?
1-[4-chloro-7-(3,5-difluorophenyl)-1-methylindazol-6-yl]ethanamine has a molecular weight of 321.76 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-7-(3,5-difluorophenyl)-1-methylindazol-6-yl]ethanamine is sourced from PubChem (CID 58368622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).