4-[[[1-(2-fluoro-6-methylphenyl)azetidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine

C15H20FN5 — CID 166058369

IUPAC4-[[[1-(2-fluoro-6-methylphenyl)azetidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine
SMILESCc1cccc(F)c1N1CC(NCc2cn(C)nc2N)C1
InChIInChI=1S/C15H20FN5/c1-10-4-3-5-13(16)14(10)21-8-12(9-21)18-6-11-7-20(2)19-15(11)17/h3-5,7,12,18H,6,8-9H2,1-2H3,(H2,17,19)
InChIKeyPBISHPAZNCMZDI-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.43
Rot. Bonds4

About 4-[[[1-(2-fluoro-6-methylphenyl)azetidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine

4-[[[1-(2-fluoro-6-methylphenyl)azetidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine (PubChem CID 166058369) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-[[[1-(2-fluoro-6-methylphenyl)azetidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-[[[1-(2-fluoro-6-methylphenyl)azetidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine
PubChem CID166058369
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name4-[[[1-(2-fluoro-6-methylphenyl)azetidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine
SMILESCc1cccc(F)c1N1CC(NCc2cn(C)nc2N)C1
InChIInChI=1S/C15H20FN5/c1-10-4-3-5-13(16)14(10)21-8-12(9-21)18-6-11-7-20(2)19-15(11)17/h3-5,7,12,18H,6,8-9H2,1-2H3,(H2,17,19)
InChIKeyPBISHPAZNCMZDI-UHFFFAOYSA-N
XLogP1.43
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(2-fluoro-6-methylphenyl)azetidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine?
The IUPAC name of 4-[[[1-(2-fluoro-6-methylphenyl)azetidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine (CID 166058369) is 4-[[[1-(2-fluoro-6-methylphenyl)azetidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-[[[1-(2-fluoro-6-methylphenyl)azetidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for 4-[[[1-(2-fluoro-6-methylphenyl)azetidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine is Cc1cccc(F)c1N1CC(NCc2cn(C)nc2N)C1.
What is the InChIKey of 4-[[[1-(2-fluoro-6-methylphenyl)azetidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine?
The InChIKey is PBISHPAZNCMZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-10-4-3-5-13(16)14(10)21-8-12(9-21)18-6-11-7-20(2)19-15(11)17/h3-5,7,12,18H,6,8-9H2,1-2H3,(H2,17,19).
What are the key properties of 4-[[[1-(2-fluoro-6-methylphenyl)azetidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine?
4-[[[1-(2-fluoro-6-methylphenyl)azetidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine has a molecular weight of 289.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(2-fluoro-6-methylphenyl)azetidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 166058369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).