2-(5-methylpyrazol-1-yl)pyrimidine-4-carboxylic acid

C9H8N4O2 — CID 141444808

IUPAC2-(5-methylpyrazol-1-yl)pyrimidine-4-carboxylic acid
SMILESCc1ccnn1-c1nccc(C(=O)O)n1
InChIInChI=1S/C9H8N4O2/c1-6-2-5-11-13(6)9-10-4-3-7(12-9)8(14)15/h2-5H,1H3,(H,14,15)
InChIKeyBEOQGTCJOVRSKV-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.67
Rot. Bonds2

About 2-(5-methylpyrazol-1-yl)pyrimidine-4-carboxylic acid

2-(5-methylpyrazol-1-yl)pyrimidine-4-carboxylic acid (PubChem CID 141444808) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-methylpyrazol-1-yl)pyrimidine-4-carboxylic acid
PubChem CID141444808
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name2-(5-methylpyrazol-1-yl)pyrimidine-4-carboxylic acid
SMILESCc1ccnn1-c1nccc(C(=O)O)n1
InChIInChI=1S/C9H8N4O2/c1-6-2-5-11-13(6)9-10-4-3-7(12-9)8(14)15/h2-5H,1H3,(H,14,15)
InChIKeyBEOQGTCJOVRSKV-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-ethylpyrazol-1-yl)pyrimidine-4-carboxylic acid
CID 84785997
2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine-4-carboxylic acid
CID 107554600
2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid
CID 84796755
4-(5-methylpyrazol-1-yl)benzoic acid
CID 4962781
2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid
CID 107553663
2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553924
2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid
CID 107554576
2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid
CID 107554746
2-(hydroxymethyl)pyrimidine-4-carboxylic acid
CID 105430018
2-bromopyrimidine-4-carboxylic acid
CID 72710417
2-(2-methylpropyl)pyrimidine-4-carboxylic acid
CID 62749024
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidine-4-carboxylic acid
CID 107553724

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-1-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(5-methylpyrazol-1-yl)pyrimidine-4-carboxylic acid (CID 141444808) is 2-(5-methylpyrazol-1-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(5-methylpyrazol-1-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(5-methylpyrazol-1-yl)pyrimidine-4-carboxylic acid is Cc1ccnn1-c1nccc(C(=O)O)n1.
What is the InChIKey of 2-(5-methylpyrazol-1-yl)pyrimidine-4-carboxylic acid?
The InChIKey is BEOQGTCJOVRSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-6-2-5-11-13(6)9-10-4-3-7(12-9)8(14)15/h2-5H,1H3,(H,14,15).
What are the key properties of 2-(5-methylpyrazol-1-yl)pyrimidine-4-carboxylic acid?
2-(5-methylpyrazol-1-yl)pyrimidine-4-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-1-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 141444808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).