4-(2-methylpyrazol-3-yl)pyrimidine-5-carboxylic acid

C9H8N4O2 — CID 84672117

IUPAC4-(2-methylpyrazol-3-yl)pyrimidine-5-carboxylic acid
SMILESCn1nccc1-c1ncncc1C(=O)O
InChIInChI=1S/C9H8N4O2/c1-13-7(2-3-12-13)8-6(9(14)15)4-10-5-11-8/h2-5H,1H3,(H,14,15)
InChIKeyWYHHIHGNVODYEJ-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.58
Rot. Bonds2

About 4-(2-methylpyrazol-3-yl)pyrimidine-5-carboxylic acid

4-(2-methylpyrazol-3-yl)pyrimidine-5-carboxylic acid (PubChem CID 84672117) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)pyrimidine-5-carboxylic acid
PubChem CID84672117
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name4-(2-methylpyrazol-3-yl)pyrimidine-5-carboxylic acid
SMILESCn1nccc1-c1ncncc1C(=O)O
InChIInChI=1S/C9H8N4O2/c1-13-7(2-3-12-13)8-6(9(14)15)4-10-5-11-8/h2-5H,1H3,(H,14,15)
InChIKeyWYHHIHGNVODYEJ-UHFFFAOYSA-N
XLogP0.58
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-deuteriopropan-2-yl)pyrazol-3-yl]pyrimidine-5-carboxylic acid
CID 153446052
5-amino-2-(2-methylpyrazol-3-yl)pyridine-3-carboxylic acid
CID 165484223
1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
CID 130678199
4-(4-methylphenyl)pyrimidine-5-carboxylic acid
CID 58828782
2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 58226859
2-chloro-5-fluoro-4-(2-methylpyrazol-3-yl)benzoic acid
CID 122568225
2-fluoro-4-(2-methylpyrazol-3-yl)benzoic acid
CID 63961568
4-(2,6-dichlorophenyl)pyrimidine-5-carboxylic acid
CID 118852442
4-(3-nitrophenyl)pyrimidine-5-carboxylic acid
CID 19900994
4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid
CID 83697515
4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid
CID 82484332
ethyl 4-phenylpyrimidine-5-carboxylate;4-phenylpyrimidine-5-carboxylic acid
CID 159272594

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(2-methylpyrazol-3-yl)pyrimidine-5-carboxylic acid (CID 84672117) is 4-(2-methylpyrazol-3-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)pyrimidine-5-carboxylic acid is Cn1nccc1-c1ncncc1C(=O)O.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)pyrimidine-5-carboxylic acid?
The InChIKey is WYHHIHGNVODYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-13-7(2-3-12-13)8-6(9(14)15)4-10-5-11-8/h2-5H,1H3,(H,14,15).
What are the key properties of 4-(2-methylpyrazol-3-yl)pyrimidine-5-carboxylic acid?
4-(2-methylpyrazol-3-yl)pyrimidine-5-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 84672117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).