2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one

C15H18N4O2 — CID 110257092

IUPAC2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one
SMILESCc1cc(=O)cc(C2CCCN2C(=O)c2ccn(C)n2)[nH]1
InChIInChI=1S/C15H18N4O2/c1-10-8-11(20)9-13(16-10)14-4-3-6-19(14)15(21)12-5-7-18(2)17-12/h5,7-9,14H,3-4,6H2,1-2H3,(H,16,20)
InChIKeyIIOFXZVLNQBJTF-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.39
Rot. Bonds2

About 2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one

2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one (PubChem CID 110257092) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one
PubChem CID110257092
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one
SMILESCc1cc(=O)cc(C2CCCN2C(=O)c2ccn(C)n2)[nH]1
InChIInChI=1S/C15H18N4O2/c1-10-8-11(20)9-13(16-10)14-4-3-6-19(14)15(21)12-5-7-18(2)17-12/h5,7-9,14H,3-4,6H2,1-2H3,(H,16,20)
InChIKeyIIOFXZVLNQBJTF-UHFFFAOYSA-N
XLogP1.39
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one?
The IUPAC name of 2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one (CID 110257092) is 2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one is Cc1cc(=O)cc(C2CCCN2C(=O)c2ccn(C)n2)[nH]1.
What is the InChIKey of 2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one?
The InChIKey is IIOFXZVLNQBJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-8-11(20)9-13(16-10)14-4-3-6-19(14)15(21)12-5-7-18(2)17-12/h5,7-9,14H,3-4,6H2,1-2H3,(H,16,20).
What are the key properties of 2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one?
2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one has a molecular weight of 286.33 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one is sourced from PubChem (CID 110257092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).