1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid

C10H9F3N4O2 — CID 19618541

IUPAC1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid
SMILESCc1cc(C(F)(F)F)nn1Cn1ccc(C(=O)O)n1
InChIInChI=1S/C10H9F3N4O2/c1-6-4-8(10(11,12)13)15-17(6)5-16-3-2-7(14-16)9(18)19/h2-4H,5H2,1H3,(H,18,19)
InChIKeySETJSBDIFLNRJQ-UHFFFAOYSA-N
MW274.20 g/mol
LogP1.61
Rot. Bonds3

About 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid

1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid (PubChem CID 19618541) has the molecular formula C10H9F3N4O2 and a molecular weight of 274.20 g/mol. Its IUPAC name is 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid
PubChem CID19618541
Molecular FormulaC10H9F3N4O2
Molecular Weight274.20 g/mol
Exact Mass274.07
IUPAC Name1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid
SMILESCc1cc(C(F)(F)F)nn1Cn1ccc(C(=O)O)n1
InChIInChI=1S/C10H9F3N4O2/c1-6-4-8(10(11,12)13)15-17(6)5-16-3-2-7(14-16)9(18)19/h2-4H,5H2,1H3,(H,18,19)
InChIKeySETJSBDIFLNRJQ-UHFFFAOYSA-N
XLogP1.61
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid (CID 19618541) is 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid is Cc1cc(C(F)(F)F)nn1Cn1ccc(C(=O)O)n1.
What is the InChIKey of 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid?
The InChIKey is SETJSBDIFLNRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2/c1-6-4-8(10(11,12)13)15-17(6)5-16-3-2-7(14-16)9(18)19/h2-4H,5H2,1H3,(H,18,19).
What are the key properties of 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid?
1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid has a molecular weight of 274.20 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19618541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).