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

C9H10N4O — CID 66021485

IUPAC4,5-dimethyl-2-pyrimidin-2-yl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ncccn2)c(=O)c1C
InChIInChI=1S/C9H10N4O/c1-6-7(2)12-13(8(6)14)9-10-4-3-5-11-9/h3-5,12H,1-2H3
InChIKeyOATDPQFSTJFYMH-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.57
Rot. Bonds1

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

4,5-dimethyl-2-pyrimidin-2-yl-1H-pyrazol-3-one (PubChem CID 66021485) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 4,5-dimethyl-2-pyrimidin-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4,5-dimethyl-2-pyrimidin-2-yl-1H-pyrazol-3-one
PubChem CID66021485
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name4,5-dimethyl-2-pyrimidin-2-yl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ncccn2)c(=O)c1C
InChIInChI=1S/C9H10N4O/c1-6-7(2)12-13(8(6)14)9-10-4-3-5-11-9/h3-5,12H,1-2H3
InChIKeyOATDPQFSTJFYMH-UHFFFAOYSA-N
XLogP0.57
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-pyrimidin-2-yl-1H-pyrazol-3-one?
The IUPAC name of 4,5-dimethyl-2-pyrimidin-2-yl-1H-pyrazol-3-one (CID 66021485) is 4,5-dimethyl-2-pyrimidin-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4,5-dimethyl-2-pyrimidin-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 4,5-dimethyl-2-pyrimidin-2-yl-1H-pyrazol-3-one is Cc1[nH]n(-c2ncccn2)c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-pyrimidin-2-yl-1H-pyrazol-3-one?
The InChIKey is OATDPQFSTJFYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6-7(2)12-13(8(6)14)9-10-4-3-5-11-9/h3-5,12H,1-2H3.
What are the key properties of 4,5-dimethyl-2-pyrimidin-2-yl-1H-pyrazol-3-one?
4,5-dimethyl-2-pyrimidin-2-yl-1H-pyrazol-3-one has a molecular weight of 190.21 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-pyrimidin-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 66021485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).