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

C14H11F2N3S — CID 64560671

IUPAC4-(2,4-difluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine
SMILESCn1nc(-c2ccsc2)c(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C14H11F2N3S/c1-19-14(17)12(10-3-2-9(15)6-11(10)16)13(18-19)8-4-5-20-7-8/h2-7H,17H2,1H3
InChIKeyGMZBGUFRUTWNSI-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.68
Rot. Bonds2

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

4-(2,4-difluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine (PubChem CID 64560671) has the molecular formula C14H11F2N3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine
PubChem CID64560671
Molecular FormulaC14H11F2N3S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name4-(2,4-difluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine
SMILESCn1nc(-c2ccsc2)c(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C14H11F2N3S/c1-19-14(17)12(10-3-2-9(15)6-11(10)16)13(18-19)8-4-5-20-7-8/h2-7H,17H2,1H3
InChIKeyGMZBGUFRUTWNSI-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine (CID 64560671) is 4-(2,4-difluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine is Cn1nc(-c2ccsc2)c(-c2ccc(F)cc2F)c1N.
What is the InChIKey of 4-(2,4-difluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine?
The InChIKey is GMZBGUFRUTWNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3S/c1-19-14(17)12(10-3-2-9(15)6-11(10)16)13(18-19)8-4-5-20-7-8/h2-7H,17H2,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine?
4-(2,4-difluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine has a molecular weight of 291.33 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-1-methyl-3-thiophen-3-ylpyrazol-5-amine is sourced from PubChem (CID 64560671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).