methyl 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylate

C10H9N3O3 — CID 102143711

IUPACmethyl 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(=O)n(-c2ccccn2)[nH]1
InChIInChI=1S/C10H9N3O3/c1-16-10(15)7-6-9(14)13(12-7)8-4-2-3-5-11-8/h2-6,12H,1H3
InChIKeyPHZNGRFDOKUGSO-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.35
Rot. Bonds2

About methyl 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylate

methyl 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylate (PubChem CID 102143711) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is methyl 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylate
PubChem CID102143711
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Namemethyl 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(=O)n(-c2ccccn2)[nH]1
InChIInChI=1S/C10H9N3O3/c1-16-10(15)7-6-9(14)13(12-7)8-4-2-3-5-11-8/h2-6,12H,1H3
InChIKeyPHZNGRFDOKUGSO-UHFFFAOYSA-N
XLogP0.35
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
CID 86705136
5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one
CID 51036276
5-pentyl-2-pyridin-2-yl-1H-pyrazol-3-one
CID 18780322
methyl 5-amino-1-pyridin-2-ylpyrazole-3-carboxylate
CID 86250027
5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one
CID 51038398
tert-butyl 3-oxo-2-phenyl-1H-pyrazole-5-carboxylate
CID 18922586
methyl 2-oxo-1-pyridin-2-yl-3H-indole-5-carboxylate
CID 132570700
dimethyl 1,2,6-trimethyl-4-pyridin-2-yl-4H-pyridine-3,5-dicarboxylate
CID 714587
methyl 2-amino-5-(4-pyridin-2-ylpiperazin-1-yl)benzoate
CID 146347076
3-propan-2-yl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one
CID 13091850
3-ethyl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one
CID 13091840
3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]-3-(4-pyridin-2-ylphenyl)propanoic acid
CID 90093286

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylate (CID 102143711) is methyl 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylate is COC(=O)c1cc(=O)n(-c2ccccn2)[nH]1.
What is the InChIKey of methyl 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylate?
The InChIKey is PHZNGRFDOKUGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-16-10(15)7-6-9(14)13(12-7)8-4-2-3-5-11-8/h2-6,12H,1H3.
What are the key properties of methyl 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylate?
methyl 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylate has a molecular weight of 219.20 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 102143711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).