4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid

C9H7FN4O2 — CID 127255845

IUPAC4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1cc(-c2ncc(F)cn2)c(C(=O)O)n1
InChIInChI=1S/C9H7FN4O2/c1-14-4-6(7(13-14)9(15)16)8-11-2-5(10)3-12-8/h2-4H,1H3,(H,15,16)
InChIKeyZRKUFUFNZFVZIN-UHFFFAOYSA-N
MW222.18 g/mol
LogP0.71
Rot. Bonds2

About 4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid

4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 127255845) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid
PubChem CID127255845
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1cc(-c2ncc(F)cn2)c(C(=O)O)n1
InChIInChI=1S/C9H7FN4O2/c1-14-4-6(7(13-14)9(15)16)8-11-2-5(10)3-12-8/h2-4H,1H3,(H,15,16)
InChIKeyZRKUFUFNZFVZIN-UHFFFAOYSA-N
XLogP0.71
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid
CID 130298551
1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid
CID 130298603
1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid
CID 130298592
4-(4-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 170457601
4-(4-chlorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 83647480
1-methyl-4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazole-3-carboxylic acid
CID 118072863
4-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 83645102
1-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazole-3-carboxylic acid
CID 122558338
4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 122567754
4-[3-(hydroxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 170457592
[(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[4-(5-fluoropyrimidin-2-yl)-1-methylpyrazol-3-yl]methanone
CID 138624143
5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carboxylic acid
CID 102802256

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid (CID 127255845) is 4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid is Cn1cc(-c2ncc(F)cn2)c(C(=O)O)n1.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is ZRKUFUFNZFVZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2/c1-14-4-6(7(13-14)9(15)16)8-11-2-5(10)3-12-8/h2-4H,1H3,(H,15,16).
What are the key properties of 4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid?
4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 222.18 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 127255845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).