[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine

C10H17FN4 — CID 119030856

IUPAC[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCn1nccc1CN1C[C@@H](F)C[C@H]1CN
InChIInChI=1S/C10H17FN4/c1-14-9(2-3-13-14)7-15-6-8(11)4-10(15)5-12/h2-3,8,10H,4-7,12H2,1H3/t8-,10-/m0/s1
InChIKeyOQXFTTJBKWWGMA-WPRPVWTQSA-N
MW212.27 g/mol
LogP0.29
Rot. Bonds3

About [(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine

[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 119030856) has the molecular formula C10H17FN4 and a molecular weight of 212.27 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID119030856
Molecular FormulaC10H17FN4
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Name[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCn1nccc1CN1C[C@@H](F)C[C@H]1CN
InChIInChI=1S/C10H17FN4/c1-14-9(2-3-13-14)7-15-6-8(11)4-10(15)5-12/h2-3,8,10H,4-7,12H2,1H3/t8-,10-/m0/s1
InChIKeyOQXFTTJBKWWGMA-WPRPVWTQSA-N
XLogP0.29
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Methyl-1H-pyrazol-5-yl)methanamine
CID 7019421
1-Ethyl-N-methyl-1H-pyrazole-5-methanamine
CID 672403
3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pentan-1-amine
CID 19616726
1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine
CID 672402
2-(5-Methyl-pyrazol-1-yl)-ethylamine
CID 3157298
3-(5-methyl-1H-pyrazol-1-yl)propan-1-amine
CID 4712135
(1-ethyl-1H-pyrazol-5-yl)methanamine
CID 1257624
1-Ethyl-1H-pyrazole-3-methanamine
CID 4715094
methyl((1-methyl-1H-pyrazol-3-yl)methyl)amine
CID 7019424
1-Methyl-5-[(methylamino)methyl]pyrazole
CID 7019426
(1-propyl-1H-pyrazol-5-yl)methanamine
CID 19576790
1-(1-ethyl-1H-pyrazol-5-yl)ethan-1-amine
CID 19585894

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine (CID 119030856) is [(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine is Cn1nccc1CN1C[C@@H](F)C[C@H]1CN.
What is the InChIKey of [(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is OQXFTTJBKWWGMA-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H17FN4/c1-14-9(2-3-13-14)7-15-6-8(11)4-10(15)5-12/h2-3,8,10H,4-7,12H2,1H3/t8-,10-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine?
[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 212.27 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 119030856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).