4-chloro-1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one

C9H8ClN3O — CID 135355570

IUPAC4-chloro-1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one
SMILESCn1cc(-c2cn[nH]c2)c(Cl)cc1=O
InChIInChI=1S/C9H8ClN3O/c1-13-5-7(6-3-11-12-4-6)8(10)2-9(13)14/h2-5H,1H3,(H,11,12)
InChIKeyDBEKEUNGVXMACP-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.43
Rot. Bonds1

About 4-chloro-1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one

4-chloro-1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one (PubChem CID 135355570) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 4-chloro-1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name4-chloro-1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one
PubChem CID135355570
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name4-chloro-1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one
SMILESCn1cc(-c2cn[nH]c2)c(Cl)cc1=O
InChIInChI=1S/C9H8ClN3O/c1-13-5-7(6-3-11-12-4-6)8(10)2-9(13)14/h2-5H,1H3,(H,11,12)
InChIKeyDBEKEUNGVXMACP-UHFFFAOYSA-N
XLogP1.43
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-pyrazol-4-yl)-1H-pyridin-2-one
CID 91493276
4-chloro-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one
CID 118426598
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one
CID 129212277
5-(1H-pyrazol-4-yl)-1H-pyridin-2-one
CID 129972237
1-methyl-3-(1H-pyrazol-4-yl)pyridin-2-one
CID 131205532
4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one
CID 146626293
3-amino-1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one
CID 146640593
2-methyl-5-(1H-pyrazol-4-yl)pyridazin-3-one
CID 165172153
3-chloro-4-(1H-pyrazol-4-yl)-1H-pyridin-2-one
CID 170571474
1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one
CID 171100512
1-propan-2-yl-5-(1H-pyrazol-4-yl)pyridin-2-one
CID 171746124
5-(1H-pyrazol-4-yl)-1-sulfanylpyridin-2-one
CID 175619890

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one?
The IUPAC name of 4-chloro-1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one (CID 135355570) is 4-chloro-1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 4-chloro-1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 4-chloro-1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one is Cn1cc(-c2cn[nH]c2)c(Cl)cc1=O.
What is the InChIKey of 4-chloro-1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one?
The InChIKey is DBEKEUNGVXMACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-13-5-7(6-3-11-12-4-6)8(10)2-9(13)14/h2-5H,1H3,(H,11,12).
What are the key properties of 4-chloro-1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one?
4-chloro-1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one has a molecular weight of 209.64 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-5-(1H-pyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 135355570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).