(3-fluoro-3-methylpyrrolidin-1-yl)-[3-(furan-3-yl)-1H-pyrazol-5-yl]methanone

C13H14FN3O2 — CID 166192102

IUPAC(3-fluoro-3-methylpyrrolidin-1-yl)-[3-(furan-3-yl)-1H-pyrazol-5-yl]methanone
SMILESCC1(F)CCN(C(=O)c2cc(-c3ccoc3)n[nH]2)C1
InChIInChI=1S/C13H14FN3O2/c1-13(14)3-4-17(8-13)12(18)11-6-10(15-16-11)9-2-5-19-7-9/h2,5-7H,3-4,8H2,1H3,(H,15,16)
InChIKeyYURZCLAMYDOUSU-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.24
Rot. Bonds2

About (3-fluoro-3-methylpyrrolidin-1-yl)-[3-(furan-3-yl)-1H-pyrazol-5-yl]methanone

(3-fluoro-3-methylpyrrolidin-1-yl)-[3-(furan-3-yl)-1H-pyrazol-5-yl]methanone (PubChem CID 166192102) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is (3-fluoro-3-methylpyrrolidin-1-yl)-[3-(furan-3-yl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-3-methylpyrrolidin-1-yl)-[3-(furan-3-yl)-1H-pyrazol-5-yl]methanone
PubChem CID166192102
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name(3-fluoro-3-methylpyrrolidin-1-yl)-[3-(furan-3-yl)-1H-pyrazol-5-yl]methanone
SMILESCC1(F)CCN(C(=O)c2cc(-c3ccoc3)n[nH]2)C1
InChIInChI=1S/C13H14FN3O2/c1-13(14)3-4-17(8-13)12(18)11-6-10(15-16-11)9-2-5-19-7-9/h2,5-7H,3-4,8H2,1H3,(H,15,16)
InChIKeyYURZCLAMYDOUSU-UHFFFAOYSA-N
XLogP2.24
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-3-methylpyrrolidin-1-yl)-[3-(furan-3-yl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of (3-fluoro-3-methylpyrrolidin-1-yl)-[3-(furan-3-yl)-1H-pyrazol-5-yl]methanone (CID 166192102) is (3-fluoro-3-methylpyrrolidin-1-yl)-[3-(furan-3-yl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for (3-fluoro-3-methylpyrrolidin-1-yl)-[3-(furan-3-yl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for (3-fluoro-3-methylpyrrolidin-1-yl)-[3-(furan-3-yl)-1H-pyrazol-5-yl]methanone is CC1(F)CCN(C(=O)c2cc(-c3ccoc3)n[nH]2)C1.
What is the InChIKey of (3-fluoro-3-methylpyrrolidin-1-yl)-[3-(furan-3-yl)-1H-pyrazol-5-yl]methanone?
The InChIKey is YURZCLAMYDOUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-13(14)3-4-17(8-13)12(18)11-6-10(15-16-11)9-2-5-19-7-9/h2,5-7H,3-4,8H2,1H3,(H,15,16).
What are the key properties of (3-fluoro-3-methylpyrrolidin-1-yl)-[3-(furan-3-yl)-1H-pyrazol-5-yl]methanone?
(3-fluoro-3-methylpyrrolidin-1-yl)-[3-(furan-3-yl)-1H-pyrazol-5-yl]methanone has a molecular weight of 263.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-3-methylpyrrolidin-1-yl)-[3-(furan-3-yl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 166192102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).