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

C10H10N4O2 — CID 84785997

IUPAC2-(5-ethylpyrazol-1-yl)pyrimidine-4-carboxylic acid
SMILESCCc1ccnn1-c1nccc(C(=O)O)n1
InChIInChI=1S/C10H10N4O2/c1-2-7-3-6-12-14(7)10-11-5-4-8(13-10)9(15)16/h3-6H,2H2,1H3,(H,15,16)
InChIKeyIWCVKCPRFCATIG-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.92
Rot. Bonds3

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

2-(5-ethylpyrazol-1-yl)pyrimidine-4-carboxylic acid (PubChem CID 84785997) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-(5-ethylpyrazol-1-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-ethylpyrazol-1-yl)pyrimidine-4-carboxylic acid
PubChem CID84785997
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-(5-ethylpyrazol-1-yl)pyrimidine-4-carboxylic acid
SMILESCCc1ccnn1-c1nccc(C(=O)O)n1
InChIInChI=1S/C10H10N4O2/c1-2-7-3-6-12-14(7)10-11-5-4-8(13-10)9(15)16/h3-6H,2H2,1H3,(H,15,16)
InChIKeyIWCVKCPRFCATIG-UHFFFAOYSA-N
XLogP0.92
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methylpyrazol-1-yl)pyrimidine-4-carboxylic acid
CID 141444808
2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine-4-carboxylic acid
CID 107554600
6-(5-ethylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 84785161
2-(5-ethylpyrazol-1-yl)pyrimidin-5-amine
CID 84771114
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid
CID 84796755
2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid
CID 107554576
2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid
CID 107553663
2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553924
1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one
CID 170035961
2-[cyclopropyl-[(2-methylpyrazol-3-yl)methyl]amino]pyrimidine-4-carboxylic acid
CID 167874786
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)propan-1-one
CID 174680127

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylpyrazol-1-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(5-ethylpyrazol-1-yl)pyrimidine-4-carboxylic acid (CID 84785997) is 2-(5-ethylpyrazol-1-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(5-ethylpyrazol-1-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(5-ethylpyrazol-1-yl)pyrimidine-4-carboxylic acid is CCc1ccnn1-c1nccc(C(=O)O)n1.
What is the InChIKey of 2-(5-ethylpyrazol-1-yl)pyrimidine-4-carboxylic acid?
The InChIKey is IWCVKCPRFCATIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-2-7-3-6-12-14(7)10-11-5-4-8(13-10)9(15)16/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of 2-(5-ethylpyrazol-1-yl)pyrimidine-4-carboxylic acid?
2-(5-ethylpyrazol-1-yl)pyrimidine-4-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylpyrazol-1-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 84785997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).