1-[4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine

C11H19FN4 — CID 122360340

IUPAC1-[4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CC(F)CN1Cc1ccnn1C
InChIInChI=1S/C11H19FN4/c1-13-6-11-5-9(12)7-16(11)8-10-3-4-14-15(10)2/h3-4,9,11,13H,5-8H2,1-2H3
InChIKeyPFMJNYUYQKSHPM-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.55
Rot. Bonds4

About 1-[4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine

1-[4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 122360340) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-[4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID122360340
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name1-[4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CC(F)CN1Cc1ccnn1C
InChIInChI=1S/C11H19FN4/c1-13-6-11-5-9(12)7-16(11)8-10-3-4-14-15(10)2/h3-4,9,11,13H,5-8H2,1-2H3
InChIKeyPFMJNYUYQKSHPM-UHFFFAOYSA-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-[4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine (CID 122360340) is 1-[4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine is CNCC1CC(F)CN1Cc1ccnn1C.
What is the InChIKey of 1-[4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is PFMJNYUYQKSHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4/c1-13-6-11-5-9(12)7-16(11)8-10-3-4-14-15(10)2/h3-4,9,11,13H,5-8H2,1-2H3.
What are the key properties of 1-[4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
1-[4-fluoro-1-[(2-methylpyrazol-3-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-[4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 122360340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).