[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone

C12H10FN5O — CID 150331013

IUPAC[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone
SMILESO=C(N1N=CC[C@H]1c1cncc(F)c1)n1ccnc1
InChIInChI=1S/C12H10FN5O/c13-10-5-9(6-15-7-10)11-1-2-16-18(11)12(19)17-4-3-14-8-17/h2-8,11H,1H2/t11-/m0/s1
InChIKeyGPRGIBXXJMIXOB-NSHDSACASA-N
MW259.24 g/mol
LogP1.82
Rot. Bonds1

About [(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone

[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone (PubChem CID 150331013) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is [(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone
PubChem CID150331013
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone
SMILESO=C(N1N=CC[C@H]1c1cncc(F)c1)n1ccnc1
InChIInChI=1S/C12H10FN5O/c13-10-5-9(6-15-7-10)11-1-2-16-18(11)12(19)17-4-3-14-8-17/h2-8,11H,1H2/t11-/m0/s1
InChIKeyGPRGIBXXJMIXOB-NSHDSACASA-N
XLogP1.82
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone?
The IUPAC name of [(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone (CID 150331013) is [(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone is O=C(N1N=CC[C@H]1c1cncc(F)c1)n1ccnc1.
What is the InChIKey of [(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone?
The InChIKey is GPRGIBXXJMIXOB-NSHDSACASA-N. The full InChI is InChI=1S/C12H10FN5O/c13-10-5-9(6-15-7-10)11-1-2-16-18(11)12(19)17-4-3-14-8-17/h2-8,11H,1H2/t11-/m0/s1.
What are the key properties of [(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone?
[(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone has a molecular weight of 259.24 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 150331013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).