[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone

C14H15FN4O — CID 119409300

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESN[C@@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C14H15FN4O/c15-10-3-1-9(2-4-10)12-7-13(18-17-12)14(20)19-6-5-11(16)8-19/h1-4,7,11H,5-6,8,16H2,(H,17,18)/t11-/m1/s1
InChIKeyDHBHPXJAUKFLRK-LLVKDONJSA-N
MW274.30 g/mol
LogP1.39
Rot. Bonds2

About [(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 119409300) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
PubChem CID119409300
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESN[C@@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C14H15FN4O/c15-10-3-1-9(2-4-10)12-7-13(18-17-12)14(20)19-6-5-11(16)8-19/h1-4,7,11H,5-6,8,16H2,(H,17,18)/t11-/m1/s1
InChIKeyDHBHPXJAUKFLRK-LLVKDONJSA-N
XLogP1.39
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (CID 119409300) is [(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is N[C@@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is DHBHPXJAUKFLRK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-10-3-1-9(2-4-10)12-7-13(18-17-12)14(20)19-6-5-11(16)8-19/h1-4,7,11H,5-6,8,16H2,(H,17,18)/t11-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 274.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 119409300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).