2-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidine-6-carboxylic acid

C11H12N4O3 — CID 81346417

IUPAC2-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidine-6-carboxylic acid
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)O)[nH]c(=O)n1
InChIInChI=1S/C11H12N4O3/c1-5-9(6(2)15(3)14-5)7-4-8(10(16)17)13-11(18)12-7/h4H,1-3H3,(H,16,17)(H,12,13,18)
InChIKeyCVMYXMGMLQVSCI-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.49
Rot. Bonds2

About 2-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidine-6-carboxylic acid

2-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidine-6-carboxylic acid (PubChem CID 81346417) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidine-6-carboxylic acid
PubChem CID81346417
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name2-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidine-6-carboxylic acid
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)O)[nH]c(=O)n1
InChIInChI=1S/C11H12N4O3/c1-5-9(6(2)15(3)14-5)7-4-8(10(16)17)13-11(18)12-7/h4H,1-3H3,(H,16,17)(H,12,13,18)
InChIKeyCVMYXMGMLQVSCI-UHFFFAOYSA-N
XLogP0.49
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid
CID 119346629
1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 7174544
6-(1,3,5-trimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 115384554
N-(2-amino-2-ethylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119643846
4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 28799435
N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512882
N-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879764
(2-methylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 119473561
4-(dimethylamino)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 83851913
5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 81111614
4-(3,4-difluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 79021570
2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 65307163

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidine-6-carboxylic acid (CID 81346417) is 2-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidine-6-carboxylic acid is Cc1nn(C)c(C)c1-c1cc(C(=O)O)[nH]c(=O)n1.
What is the InChIKey of 2-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidine-6-carboxylic acid?
The InChIKey is CVMYXMGMLQVSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-5-9(6(2)15(3)14-5)7-4-8(10(16)17)13-11(18)12-7/h4H,1-3H3,(H,16,17)(H,12,13,18).
What are the key properties of 2-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidine-6-carboxylic acid?
2-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidine-6-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 81346417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).