furan-2-yl-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone

C14H13N3O3 — CID 3148321

IUPACfuran-2-yl-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone
SMILESCC1=NN(C(=O)c2ccco2)C(O)(c2cccnc2)C1
InChIInChI=1S/C14H13N3O3/c1-10-8-14(19,11-4-2-6-15-9-11)17(16-10)13(18)12-5-3-7-20-12/h2-7,9,19H,8H2,1H3
InChIKeyILWZAXQOKZKGKK-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.74
Rot. Bonds2

About furan-2-yl-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone

furan-2-yl-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone (PubChem CID 3148321) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is furan-2-yl-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone
PubChem CID3148321
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Namefuran-2-yl-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone
SMILESCC1=NN(C(=O)c2ccco2)C(O)(c2cccnc2)C1
InChIInChI=1S/C14H13N3O3/c1-10-8-14(19,11-4-2-6-15-9-11)17(16-10)13(18)12-5-3-7-20-12/h2-7,9,19H,8H2,1H3
InChIKeyILWZAXQOKZKGKK-UHFFFAOYSA-N
XLogP1.74
TPSA78.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone
CID 571594
methyl 5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazole-1-carboxylate
CID 2933217
[(5R)-5-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone
CID 692515
(4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 2884136
(4-bromophenyl)-(3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone
CID 3141319
[(5R)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(furan-2-yl)methanone
CID 842848
[(3aR,6aR)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(furan-2-yl)methanone
CID 97376848
[5-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-nitrophenyl)methanone
CID 591280
3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108963516
furan-2-yl-[(5S)-3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 40502190
furan-2-yl-[3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 3142710
[(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 97470905

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone?
The IUPAC name of furan-2-yl-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone (CID 3148321) is furan-2-yl-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone.
What is the SMILES notation for furan-2-yl-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone?
The canonical SMILES for furan-2-yl-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone is CC1=NN(C(=O)c2ccco2)C(O)(c2cccnc2)C1.
What is the InChIKey of furan-2-yl-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone?
The InChIKey is ILWZAXQOKZKGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-10-8-14(19,11-4-2-6-15-9-11)17(16-10)13(18)12-5-3-7-20-12/h2-7,9,19H,8H2,1H3.
What are the key properties of furan-2-yl-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone?
furan-2-yl-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone has a molecular weight of 271.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)methanone is sourced from PubChem (CID 3148321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).