5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine

C18H14F2N4 — CID 58200534

IUPAC5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine
SMILESCn1nc(N)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C18H14F2N4/c1-24-16(9-17(21)23-24)10-5-6-14-11(7-10)8-15(22-14)18-12(19)3-2-4-13(18)20/h2-9,22H,1H3,(H2,21,23)
InChIKeyJAJICUYNFMLYRJ-UHFFFAOYSA-N
MW324.33 g/mol
LogP4.10
Rot. Bonds2

About 5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine

5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine (PubChem CID 58200534) has the molecular formula C18H14F2N4 and a molecular weight of 324.33 g/mol. Its IUPAC name is 5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine
PubChem CID58200534
Molecular FormulaC18H14F2N4
Molecular Weight324.33 g/mol
Exact Mass324.12
IUPAC Name5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine
SMILESCn1nc(N)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C18H14F2N4/c1-24-16(9-17(21)23-24)10-5-6-14-11(7-10)8-15(22-14)18-12(19)3-2-4-13(18)20/h2-9,22H,1H3,(H2,21,23)
InChIKeyJAJICUYNFMLYRJ-UHFFFAOYSA-N
XLogP4.10
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine?
The IUPAC name of 5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine (CID 58200534) is 5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine.
What is the SMILES notation for 5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine?
The canonical SMILES for 5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine is Cn1nc(N)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.
What is the InChIKey of 5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine?
The InChIKey is JAJICUYNFMLYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4/c1-24-16(9-17(21)23-24)10-5-6-14-11(7-10)8-15(22-14)18-12(19)3-2-4-13(18)20/h2-9,22H,1H3,(H2,21,23).
What are the key properties of 5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine?
5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine has a molecular weight of 324.33 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 58200534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).