4-imidazol-1-yl-2-(4-methyl-2-pyridinyl)-1H-pyrazol-3-one

C12H11N5O — CID 59603646

IUPAC4-imidazol-1-yl-2-(4-methyl-2-pyridinyl)-1H-pyrazol-3-one
SMILESCc1ccnc(-n2[nH]cc(-n3ccnc3)c2=O)c1
InChIInChI=1S/C12H11N5O/c1-9-2-3-14-11(6-9)17-12(18)10(7-15-17)16-5-4-13-8-16/h2-8,15H,1H3
InChIKeyZPZXAPRUOLEKKH-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.05
Rot. Bonds2

About 4-imidazol-1-yl-2-(4-methyl-2-pyridinyl)-1H-pyrazol-3-one

4-imidazol-1-yl-2-(4-methyl-2-pyridinyl)-1H-pyrazol-3-one (PubChem CID 59603646) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-(4-methyl-2-pyridinyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-imidazol-1-yl-2-(4-methyl-2-pyridinyl)-1H-pyrazol-3-one
PubChem CID59603646
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name4-imidazol-1-yl-2-(4-methyl-2-pyridinyl)-1H-pyrazol-3-one
SMILESCc1ccnc(-n2[nH]cc(-n3ccnc3)c2=O)c1
InChIInChI=1S/C12H11N5O/c1-9-2-3-14-11(6-9)17-12(18)10(7-15-17)16-5-4-13-8-16/h2-8,15H,1H3
InChIKeyZPZXAPRUOLEKKH-UHFFFAOYSA-N
XLogP1.05
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-(4-methyl-2-pyridinyl)-1H-pyrazol-3-one?
The IUPAC name of 4-imidazol-1-yl-2-(4-methyl-2-pyridinyl)-1H-pyrazol-3-one (CID 59603646) is 4-imidazol-1-yl-2-(4-methyl-2-pyridinyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-imidazol-1-yl-2-(4-methyl-2-pyridinyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-imidazol-1-yl-2-(4-methyl-2-pyridinyl)-1H-pyrazol-3-one is Cc1ccnc(-n2[nH]cc(-n3ccnc3)c2=O)c1.
What is the InChIKey of 4-imidazol-1-yl-2-(4-methyl-2-pyridinyl)-1H-pyrazol-3-one?
The InChIKey is ZPZXAPRUOLEKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-9-2-3-14-11(6-9)17-12(18)10(7-15-17)16-5-4-13-8-16/h2-8,15H,1H3.
What are the key properties of 4-imidazol-1-yl-2-(4-methyl-2-pyridinyl)-1H-pyrazol-3-one?
4-imidazol-1-yl-2-(4-methyl-2-pyridinyl)-1H-pyrazol-3-one has a molecular weight of 241.25 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2-(4-methyl-2-pyridinyl)-1H-pyrazol-3-one is sourced from PubChem (CID 59603646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).