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

C17H24FN5 — CID 166058291

IUPAC4-[[[1-(2-fluoro-6-methylphenyl)-3-methylpyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine
SMILESCc1cccc(F)c1N1CCC(C)(NCc2cn(C)nc2N)C1
InChIInChI=1S/C17H24FN5/c1-12-5-4-6-14(18)15(12)23-8-7-17(2,11-23)20-9-13-10-22(3)21-16(13)19/h4-6,10,20H,7-9,11H2,1-3H3,(H2,19,21)
InChIKeyHJLWZEONMRWZJY-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.21
Rot. Bonds4

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

4-[[[1-(2-fluoro-6-methylphenyl)-3-methylpyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine (PubChem CID 166058291) has the molecular formula C17H24FN5 and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-[[[1-(2-fluoro-6-methylphenyl)-3-methylpyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-[[[1-(2-fluoro-6-methylphenyl)-3-methylpyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine
PubChem CID166058291
Molecular FormulaC17H24FN5
Molecular Weight317.41 g/mol
Exact Mass317.20
IUPAC Name4-[[[1-(2-fluoro-6-methylphenyl)-3-methylpyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine
SMILESCc1cccc(F)c1N1CCC(C)(NCc2cn(C)nc2N)C1
InChIInChI=1S/C17H24FN5/c1-12-5-4-6-14(18)15(12)23-8-7-17(2,11-23)20-9-13-10-22(3)21-16(13)19/h4-6,10,20H,7-9,11H2,1-3H3,(H2,19,21)
InChIKeyHJLWZEONMRWZJY-UHFFFAOYSA-N
XLogP2.21
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.21
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)-3-methylpyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine?
The IUPAC name of 4-[[[1-(2-fluoro-6-methylphenyl)-3-methylpyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine (CID 166058291) is 4-[[[1-(2-fluoro-6-methylphenyl)-3-methylpyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-[[[1-(2-fluoro-6-methylphenyl)-3-methylpyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for 4-[[[1-(2-fluoro-6-methylphenyl)-3-methylpyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine is Cc1cccc(F)c1N1CCC(C)(NCc2cn(C)nc2N)C1.
What is the InChIKey of 4-[[[1-(2-fluoro-6-methylphenyl)-3-methylpyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine?
The InChIKey is HJLWZEONMRWZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5/c1-12-5-4-6-14(18)15(12)23-8-7-17(2,11-23)20-9-13-10-22(3)21-16(13)19/h4-6,10,20H,7-9,11H2,1-3H3,(H2,19,21).
What are the key properties of 4-[[[1-(2-fluoro-6-methylphenyl)-3-methylpyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine?
4-[[[1-(2-fluoro-6-methylphenyl)-3-methylpyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine has a molecular weight of 317.41 g/mol, XLogP of 2.21, 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)-3-methylpyrrolidin-3-yl]amino]methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 166058291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).