4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine

C10H9F2N3 — CID 64560863

IUPAC4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C10H9F2N3/c1-15-10(13)8(5-14-15)7-3-2-6(11)4-9(7)12/h2-5H,13H2,1H3
InChIKeyPODLPTUNXZNLDT-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.95
Rot. Bonds1

About 4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine

4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 64560863) has the molecular formula C10H9F2N3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
PubChem CID64560863
Molecular FormulaC10H9F2N3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C10H9F2N3/c1-15-10(13)8(5-14-15)7-3-2-6(11)4-9(7)12/h2-5H,13H2,1H3
InChIKeyPODLPTUNXZNLDT-UHFFFAOYSA-N
XLogP1.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine (CID 64560863) is 4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine is Cn1ncc(-c2ccc(F)cc2F)c1N.
What is the InChIKey of 4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is PODLPTUNXZNLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3/c1-15-10(13)8(5-14-15)7-3-2-6(11)4-9(7)12/h2-5H,13H2,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine?
4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 209.20 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 64560863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).