5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

C12H10F3N5O2 — CID 154566577

IUPAC5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(c1cc(C(F)(F)F)ncn1)CC2
InChIInChI=1S/C12H10F3N5O2/c13-12(14,15)8-3-9(17-5-16-8)20-2-1-7-6(4-20)10(11(21)22)19-18-7/h3,5H,1-2,4H2,(H,18,19)(H,21,22)
InChIKeyJYGJSRSHKKRYDN-UHFFFAOYSA-N
MW313.24 g/mol
LogP1.48
Rot. Bonds2

About 5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 154566577) has the molecular formula C12H10F3N5O2 and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID154566577
Molecular FormulaC12H10F3N5O2
Molecular Weight313.24 g/mol
Exact Mass313.08
IUPAC Name5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(c1cc(C(F)(F)F)ncn1)CC2
InChIInChI=1S/C12H10F3N5O2/c13-12(14,15)8-3-9(17-5-16-8)20-2-1-7-6(4-20)10(11(21)22)19-18-7/h3,5H,1-2,4H2,(H,18,19)(H,21,22)
InChIKeyJYGJSRSHKKRYDN-UHFFFAOYSA-N
XLogP1.48
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-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

4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid
CID 87595026
5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 46318260
N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 171704924
(4-chlorophenyl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91892346
5-(6-ethylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 167834816
tert-butyl 4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 70812514
N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892456
3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidine-4-carboxylic acid;hydrochloride
CID 67103401
(3aS,6aS)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 97377895
4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 126851346
(2S)-2-phenyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 99754097
2,1,3-benzothiadiazol-5-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 119102259

Frequently Asked Questions

What is the IUPAC name of 5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 154566577) is 5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is O=C(O)c1n[nH]c2c1CN(c1cc(C(F)(F)F)ncn1)CC2.
What is the InChIKey of 5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is JYGJSRSHKKRYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O2/c13-12(14,15)8-3-9(17-5-16-8)20-2-1-7-6(4-20)10(11(21)22)19-18-7/h3,5H,1-2,4H2,(H,18,19)(H,21,22).
What are the key properties of 5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 313.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 154566577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).