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

C15H19F2N3 — CID 61496782

IUPAC4-(3,5-difluorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine
SMILESCCC(CC)c1nn(C)c(N)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C15H19F2N3/c1-4-9(5-2)14-13(15(18)20(3)19-14)10-6-11(16)8-12(17)7-10/h6-9H,4-5,18H2,1-3H3
InChIKeyXEINQGFHDYWLOO-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.85
Rot. Bonds4

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

4-(3,5-difluorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine (PubChem CID 61496782) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine
PubChem CID61496782
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name4-(3,5-difluorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine
SMILESCCC(CC)c1nn(C)c(N)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C15H19F2N3/c1-4-9(5-2)14-13(15(18)20(3)19-14)10-6-11(16)8-12(17)7-10/h6-9H,4-5,18H2,1-3H3
InChIKeyXEINQGFHDYWLOO-UHFFFAOYSA-N
XLogP3.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine?
The IUPAC name of 4-(3,5-difluorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine (CID 61496782) is 4-(3,5-difluorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine.
What is the SMILES notation for 4-(3,5-difluorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine?
The canonical SMILES for 4-(3,5-difluorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine is CCC(CC)c1nn(C)c(N)c1-c1cc(F)cc(F)c1.
What is the InChIKey of 4-(3,5-difluorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine?
The InChIKey is XEINQGFHDYWLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-4-9(5-2)14-13(15(18)20(3)19-14)10-6-11(16)8-12(17)7-10/h6-9H,4-5,18H2,1-3H3.
What are the key properties of 4-(3,5-difluorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine?
4-(3,5-difluorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine has a molecular weight of 279.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine is sourced from PubChem (CID 61496782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).