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

C10H9FN4O2 — CID 130298557

IUPAC4-(5-fluoropyrimidin-2-yl)-1,5-dimethylpyrazole-3-carboxylic acid
SMILESCc1c(-c2ncc(F)cn2)c(C(=O)O)nn1C
InChIInChI=1S/C10H9FN4O2/c1-5-7(8(10(16)17)14-15(5)2)9-12-3-6(11)4-13-9/h3-4H,1-2H3,(H,16,17)
InChIKeyAICHCNWLFBKVPG-UHFFFAOYSA-N
MW236.21 g/mol
LogP1.02
Rot. Bonds2

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

4-(5-fluoropyrimidin-2-yl)-1,5-dimethylpyrazole-3-carboxylic acid (PubChem CID 130298557) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)-1,5-dimethylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)-1,5-dimethylpyrazole-3-carboxylic acid
PubChem CID130298557
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC Name4-(5-fluoropyrimidin-2-yl)-1,5-dimethylpyrazole-3-carboxylic acid
SMILESCc1c(-c2ncc(F)cn2)c(C(=O)O)nn1C
InChIInChI=1S/C10H9FN4O2/c1-5-7(8(10(16)17)14-15(5)2)9-12-3-6(11)4-13-9/h3-4H,1-2H3,(H,16,17)
InChIKeyAICHCNWLFBKVPG-UHFFFAOYSA-N
XLogP1.02
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-Methyl-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 83706254
5-methyl-2-(1-methyl-1H-pyrazol-3-yl)pyrimidine-4-carboxylic acid
CID 139023953
3-Methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 86207927
4-Ethyl-1-(5-fluoro-2-pyridinyl)pyrazole-3-carboxylic acid
CID 90003991
4-(5-Fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
CID 90383267
4-(5-Fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
CID 90383366
4-(5-Fluoro-2-pyrimidinyl)-1-methyl-1H-pyrazole-3-carboxylic acid
CID 127255845
4-Pyrimidin-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid
CID 130298536
tert-Butyl 4-(5-fluoropyrimidin-2-yl)-1-methyl-1H-pyrazole-3-carboxylate
CID 130298548
1-Methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid
CID 130298654
2-Pyrimidin-2-yl-5-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 134397362
2-Pyrimidin-2-yl-4-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 134397380

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)-1,5-dimethylpyrazole-3-carboxylic acid?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)-1,5-dimethylpyrazole-3-carboxylic acid (CID 130298557) is 4-(5-fluoropyrimidin-2-yl)-1,5-dimethylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)-1,5-dimethylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)-1,5-dimethylpyrazole-3-carboxylic acid is Cc1c(-c2ncc(F)cn2)c(C(=O)O)nn1C.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)-1,5-dimethylpyrazole-3-carboxylic acid?
The InChIKey is AICHCNWLFBKVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c1-5-7(8(10(16)17)14-15(5)2)9-12-3-6(11)4-13-9/h3-4H,1-2H3,(H,16,17).
What are the key properties of 4-(5-fluoropyrimidin-2-yl)-1,5-dimethylpyrazole-3-carboxylic acid?
4-(5-fluoropyrimidin-2-yl)-1,5-dimethylpyrazole-3-carboxylic acid has a molecular weight of 236.21 g/mol, XLogP of 1.02, 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)-1,5-dimethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 130298557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).