4-(2,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one

C9H10N4O — CID 137025541

IUPAC4-(2,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCc1cc(-c2cc(=O)[nH]cn2)n(C)n1
InChIInChI=1S/C9H10N4O/c1-6-3-8(13(2)12-6)7-4-9(14)11-5-10-7/h3-5H,1-2H3,(H,10,11,14)
InChIKeyGXKNIJNKKDRIRH-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.48
Rot. Bonds1

About 4-(2,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one

4-(2,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one (PubChem CID 137025541) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one
PubChem CID137025541
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCc1cc(-c2cc(=O)[nH]cn2)n(C)n1
InChIInChI=1S/C9H10N4O/c1-6-3-8(13(2)12-6)7-4-9(14)11-5-10-7/h3-5H,1-2H3,(H,10,11,14)
InChIKeyGXKNIJNKKDRIRH-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-4-methylpyridine
CID 139386235
6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-carboxylic acid
CID 121206397
4-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 136769371
5-chloro-2-(2,5-dimethylpyrazol-3-yl)pyridine
CID 167062904
4-chloro-6-(2,5-dimethylpyrazol-3-yl)-2-methylpyrimidine
CID 121205795
5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-pyrimidin-6-one
CID 114791175
4-[ethyl(methyl)amino]-1H-pyrimidin-6-one
CID 136504671
CID 88578905
CID 88578905
5-(2,5-dimethylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 116856803
5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole
CID 155276309
5-(2,6-difluorophenyl)-1,3-dimethylpyrazole
CID 66614304
CID 168939104
CID 168939104

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one (CID 137025541) is 4-(2,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one is Cc1cc(-c2cc(=O)[nH]cn2)n(C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one?
The InChIKey is GXKNIJNKKDRIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6-3-8(13(2)12-6)7-4-9(14)11-5-10-7/h3-5H,1-2H3,(H,10,11,14).
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one?
4-(2,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one has a molecular weight of 190.21 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137025541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).