1-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid

C10H7F3N4O2 — CID 130298654

IUPAC1-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid
SMILESCn1cc(-c2ncc(C(F)(F)F)cn2)c(C(=O)O)n1
InChIInChI=1S/C10H7F3N4O2/c1-17-4-6(7(16-17)9(18)19)8-14-2-5(3-15-8)10(11,12)13/h2-4H,1H3,(H,18,19)
InChIKeySYUPHPVNESHFRY-UHFFFAOYSA-N
MW272.19 g/mol
LogP1.59
Rot. Bonds2

About 1-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid

1-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid (PubChem CID 130298654) has the molecular formula C10H7F3N4O2 and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid
PubChem CID130298654
Molecular FormulaC10H7F3N4O2
Molecular Weight272.19 g/mol
Exact Mass272.05
IUPAC Name1-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid
SMILESCn1cc(-c2ncc(C(F)(F)F)cn2)c(C(=O)O)n1
InChIInChI=1S/C10H7F3N4O2/c1-17-4-6(7(16-17)9(18)19)8-14-2-5(3-15-8)10(11,12)13/h2-4H,1H3,(H,18,19)
InChIKeySYUPHPVNESHFRY-UHFFFAOYSA-N
XLogP1.59
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-Hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 1259795
7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 7017531
6-Methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 18524444
7-Methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 16653148
7-(Difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 103200547
5-(Difluoromethyl)pyrazolo[1,5-A]pyrimidine-2-carboxylic acid
CID 119056307
5-methyl-2-(1-methyl-1H-pyrazol-3-yl)pyrimidine-4-carboxylic acid
CID 139023953
Ethyl 6-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate
CID 134965813
3-(Difluoromethyl)-1-(5-fluoropyrimidin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 59579821
5-Methyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 68848967
3-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 69324826
5-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 69324828

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid (CID 130298654) is 1-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid is Cn1cc(-c2ncc(C(F)(F)F)cn2)c(C(=O)O)n1.
What is the InChIKey of 1-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid?
The InChIKey is SYUPHPVNESHFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O2/c1-17-4-6(7(16-17)9(18)19)8-14-2-5(3-15-8)10(11,12)13/h2-4H,1H3,(H,18,19).
What are the key properties of 1-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid?
1-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid has a molecular weight of 272.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 130298654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).