4,5-dimethyl-2-pyridin-2-yl-1H-pyrazol-3-one

C10H11N3O — CID 24844318

IUPAC4,5-dimethyl-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1C
InChIInChI=1S/C10H11N3O/c1-7-8(2)12-13(10(7)14)9-5-3-4-6-11-9/h3-6,12H,1-2H3
InChIKeyNOPNDBIUYKYAIR-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.18
Rot. Bonds1

About 4,5-dimethyl-2-pyridin-2-yl-1H-pyrazol-3-one

4,5-dimethyl-2-pyridin-2-yl-1H-pyrazol-3-one (PubChem CID 24844318) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4,5-dimethyl-2-pyridin-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4,5-dimethyl-2-pyridin-2-yl-1H-pyrazol-3-one
PubChem CID24844318
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4,5-dimethyl-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1C
InChIInChI=1S/C10H11N3O/c1-7-8(2)12-13(10(7)14)9-5-3-4-6-11-9/h3-6,12H,1-2H3
InChIKeyNOPNDBIUYKYAIR-UHFFFAOYSA-N
XLogP1.18
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetamidopyridine
CID 72929
N-(pyridin-2-yl)prop-2-enamide
CID 9920419
3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one
CID 667652
2-(Pivaloylamino)pyridine
CID 1051519
Dihydro-benzodipyrazole deriv. 7u
CID 5331049
5-amino-1-(pyridin-2-yl)-2,3-dihydro-1H-pyrazol-3-one
CID 459567
3-Methyl-4-phenyl-1-(pyridin-2-yl)-1h-pyrazol-5-ol
CID 13590499
N'1-[5-(trifluoromethyl)-2-pyridyl]-2-methylpropanohydrazide
CID 2727167
5-methyl-2-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 25096820
5-methyl-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 25097072
4-(4-Fluorophenyl)-3-methyl-1-(pyridin-2-yl)-1h-pyrazol-5-ol
CID 25097582
DMT1 blocker 1
CID 25098135

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-pyridin-2-yl-1H-pyrazol-3-one?
The IUPAC name of 4,5-dimethyl-2-pyridin-2-yl-1H-pyrazol-3-one (CID 24844318) is 4,5-dimethyl-2-pyridin-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4,5-dimethyl-2-pyridin-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 4,5-dimethyl-2-pyridin-2-yl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccn2)c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-pyridin-2-yl-1H-pyrazol-3-one?
The InChIKey is NOPNDBIUYKYAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-8(2)12-13(10(7)14)9-5-3-4-6-11-9/h3-6,12H,1-2H3.
What are the key properties of 4,5-dimethyl-2-pyridin-2-yl-1H-pyrazol-3-one?
4,5-dimethyl-2-pyridin-2-yl-1H-pyrazol-3-one has a molecular weight of 189.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-pyridin-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 24844318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).