4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine

C13H11F2N5 — CID 64561055

IUPAC4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine
SMILESCn1nc(-c2ccn[nH]2)c(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C13H11F2N5/c1-20-13(16)11(8-3-2-7(14)6-9(8)15)12(19-20)10-4-5-17-18-10/h2-6H,16H2,1H3,(H,17,18)
InChIKeyJURXNEYRMJWFTE-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.34
Rot. Bonds2

About 4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine

4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine (PubChem CID 64561055) has the molecular formula C13H11F2N5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine
PubChem CID64561055
Molecular FormulaC13H11F2N5
Molecular Weight275.26 g/mol
Exact Mass275.10
IUPAC Name4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine
SMILESCn1nc(-c2ccn[nH]2)c(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C13H11F2N5/c1-20-13(16)11(8-3-2-7(14)6-9(8)15)12(19-20)10-4-5-17-18-10/h2-6H,16H2,1H3,(H,17,18)
InChIKeyJURXNEYRMJWFTE-UHFFFAOYSA-N
XLogP2.34
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine (CID 64561055) is 4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine is Cn1nc(-c2ccn[nH]2)c(-c2ccc(F)cc2F)c1N.
What is the InChIKey of 4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine?
The InChIKey is JURXNEYRMJWFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5/c1-20-13(16)11(8-3-2-7(14)6-9(8)15)12(19-20)10-4-5-17-18-10/h2-6H,16H2,1H3,(H,17,18).
What are the key properties of 4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine?
4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine has a molecular weight of 275.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-1-methyl-3-(1H-pyrazol-5-yl)pyrazol-5-amine is sourced from PubChem (CID 64561055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).