1-[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine

C11H19FN4 — CID 119030855

IUPAC1-[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1
InChIInChI=1S/C11H19FN4/c1-13-5-11-3-10(12)8-16(11)7-9-4-14-15(2)6-9/h4,6,10-11,13H,3,5,7-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyFVLHUCNDNCEVRO-QWRGUYRKSA-N
MW226.30 g/mol
LogP0.55
Rot. Bonds4

About 1-[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine

1-[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 119030855) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID119030855
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name1-[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1
InChIInChI=1S/C11H19FN4/c1-13-5-11-3-10(12)8-16(11)7-9-4-14-15(2)6-9/h4,6,10-11,13H,3,5,7-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyFVLHUCNDNCEVRO-QWRGUYRKSA-N
XLogP0.55
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine (CID 119030855) is 1-[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine is CNC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1.
What is the InChIKey of 1-[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is FVLHUCNDNCEVRO-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H19FN4/c1-13-5-11-3-10(12)8-16(11)7-9-4-14-15(2)6-9/h4,6,10-11,13H,3,5,7-8H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
1-[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 226.30 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 119030855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).