2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one

C10H11N3O — CID 58200639

IUPAC2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one
SMILESCCn1[nH]c(-c2cccnc2)cc1=O
InChIInChI=1S/C10H11N3O/c1-2-13-10(14)6-9(12-13)8-4-3-5-11-7-8/h3-7,12H,2H2,1H3
InChIKeyWZBNQSPTUVBNEW-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.26
Rot. Bonds2

About 2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one

2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one (PubChem CID 58200639) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one
PubChem CID58200639
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one
SMILESCCn1[nH]c(-c2cccnc2)cc1=O
InChIInChI=1S/C10H11N3O/c1-2-13-10(14)6-9(12-13)8-4-3-5-11-7-8/h3-7,12H,2H2,1H3
InChIKeyWZBNQSPTUVBNEW-UHFFFAOYSA-N
XLogP1.26
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propoxyphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one
CID 54086661
2-ethyl-5-(3-isocyanophenyl)-1H-pyrazol-3-one
CID 123912476
2-(3,4-dimethylphenyl)-5-pyridin-3-yl-1H-pyrazol-3-one
CID 54513115
2-(3,4-dichlorophenyl)-5-pyridin-3-yl-1H-pyrazol-3-one
CID 58784833
2-ethyl-5-pyridin-3-yl-1H-1,2,4-triazole-3-thione
CID 170856771
2-benzyl-5-pyridin-4-yl-1H-pyrazol-3-one
CID 91549682
2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271580
4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 10243363
1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde
CID 84761337
methyl 2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)acetate
CID 121214256
2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one
CID 10725945
6-(2-aminoethyl)-5-methyl-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271828

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one?
The IUPAC name of 2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one (CID 58200639) is 2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one is CCn1[nH]c(-c2cccnc2)cc1=O.
What is the InChIKey of 2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one?
The InChIKey is WZBNQSPTUVBNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-13-10(14)6-9(12-13)8-4-3-5-11-7-8/h3-7,12H,2H2,1H3.
What are the key properties of 2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one?
2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one has a molecular weight of 189.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one is sourced from PubChem (CID 58200639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).