1-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]-2-methylpyrazolidin-3-one

C19H18N6O3 — CID 23090169

IUPAC1-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]-2-methylpyrazolidin-3-one
SMILESCOc1ccc(-n2nc(C(=O)N3CCC(=O)N3C)cc2-c2ccccn2)cn1
InChIInChI=1S/C19H18N6O3/c1-23-18(26)8-10-24(23)19(27)15-11-16(14-5-3-4-9-20-14)25(22-15)13-6-7-17(28-2)21-12-13/h3-7,9,11-12H,8,10H2,1-2H3
InChIKeyQHQFAPZBOPMKAT-UHFFFAOYSA-N
MW378.39 g/mol
LogP1.56
Rot. Bonds4

About 1-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]-2-methylpyrazolidin-3-one

1-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]-2-methylpyrazolidin-3-one (PubChem CID 23090169) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]-2-methylpyrazolidin-3-one.

Molecular Properties

Compound Name1-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]-2-methylpyrazolidin-3-one
PubChem CID23090169
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name1-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]-2-methylpyrazolidin-3-one
SMILESCOc1ccc(-n2nc(C(=O)N3CCC(=O)N3C)cc2-c2ccccn2)cn1
InChIInChI=1S/C19H18N6O3/c1-23-18(26)8-10-24(23)19(27)15-11-16(14-5-3-4-9-20-14)25(22-15)13-6-7-17(28-2)21-12-13/h3-7,9,11-12H,8,10H2,1-2H3
InChIKeyQHQFAPZBOPMKAT-UHFFFAOYSA-N
XLogP1.56
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]-2-methylpyrazolidin-3-one?
The IUPAC name of 1-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]-2-methylpyrazolidin-3-one (CID 23090169) is 1-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]-2-methylpyrazolidin-3-one.
What is the SMILES notation for 1-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]-2-methylpyrazolidin-3-one?
The canonical SMILES for 1-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]-2-methylpyrazolidin-3-one is COc1ccc(-n2nc(C(=O)N3CCC(=O)N3C)cc2-c2ccccn2)cn1.
What is the InChIKey of 1-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]-2-methylpyrazolidin-3-one?
The InChIKey is QHQFAPZBOPMKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-23-18(26)8-10-24(23)19(27)15-11-16(14-5-3-4-9-20-14)25(22-15)13-6-7-17(28-2)21-12-13/h3-7,9,11-12H,8,10H2,1-2H3.
What are the key properties of 1-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]-2-methylpyrazolidin-3-one?
1-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]-2-methylpyrazolidin-3-one has a molecular weight of 378.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]-2-methylpyrazolidin-3-one is sourced from PubChem (CID 23090169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).