[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

C10H14FN3O — CID 129349196

IUPAC[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CC[C@](C)(F)C1
InChIInChI=1S/C10H14FN3O/c1-7-8(5-12-13-7)9(15)14-4-3-10(2,11)6-14/h5H,3-4,6H2,1-2H3,(H,12,13)/t10-/m0/s1
InChIKeyNSWYYRKSFGCGDS-JTQLQIEISA-N
MW211.24 g/mol
LogP1.29
Rot. Bonds1

About [(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone (PubChem CID 129349196) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is [(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
PubChem CID129349196
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CC[C@](C)(F)C1
InChIInChI=1S/C10H14FN3O/c1-7-8(5-12-13-7)9(15)14-4-3-10(2,11)6-14/h5H,3-4,6H2,1-2H3,(H,12,13)/t10-/m0/s1
InChIKeyNSWYYRKSFGCGDS-JTQLQIEISA-N
XLogP1.29
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone (CID 129349196) is [(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone is Cc1[nH]ncc1C(=O)N1CC[C@](C)(F)C1.
What is the InChIKey of [(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The InChIKey is NSWYYRKSFGCGDS-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14FN3O/c1-7-8(5-12-13-7)9(15)14-4-3-10(2,11)6-14/h5H,3-4,6H2,1-2H3,(H,12,13)/t10-/m0/s1.
What are the key properties of [(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone has a molecular weight of 211.24 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 129349196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).