3-(2,3-difluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine

C15H12F2N4 — CID 80522283

IUPAC3-(2,3-difluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
SMILESCn1nc(-c2cccc(F)c2F)c(-c2cccnc2)c1N
InChIInChI=1S/C15H12F2N4/c1-21-15(18)12(9-4-3-7-19-8-9)14(20-21)10-5-2-6-11(16)13(10)17/h2-8H,18H2,1H3
InChIKeyFJPXVVGVZMMSSL-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.01
Rot. Bonds2

About 3-(2,3-difluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine

3-(2,3-difluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine (PubChem CID 80522283) has the molecular formula C15H12F2N4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
PubChem CID80522283
Molecular FormulaC15H12F2N4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-(2,3-difluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
SMILESCn1nc(-c2cccc(F)c2F)c(-c2cccnc2)c1N
InChIInChI=1S/C15H12F2N4/c1-21-15(18)12(9-4-3-7-19-8-9)14(20-21)10-5-2-6-11(16)13(10)17/h2-8H,18H2,1H3
InChIKeyFJPXVVGVZMMSSL-UHFFFAOYSA-N
XLogP3.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The IUPAC name of 3-(2,3-difluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine (CID 80522283) is 3-(2,3-difluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine.
What is the SMILES notation for 3-(2,3-difluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The canonical SMILES for 3-(2,3-difluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine is Cn1nc(-c2cccc(F)c2F)c(-c2cccnc2)c1N.
What is the InChIKey of 3-(2,3-difluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The InChIKey is FJPXVVGVZMMSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4/c1-21-15(18)12(9-4-3-7-19-8-9)14(20-21)10-5-2-6-11(16)13(10)17/h2-8H,18H2,1H3.
What are the key properties of 3-(2,3-difluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
3-(2,3-difluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine has a molecular weight of 286.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine is sourced from PubChem (CID 80522283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).