1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid

C11H10F3N5O3 — CID 29097233

IUPAC1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid
SMILESCn1cc(NC(=O)c2c(C(=O)O)cnn2C)c(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5O3/c1-18-4-6(8(17-18)11(12,13)14)16-9(20)7-5(10(21)22)3-15-19(7)2/h3-4H,1-2H3,(H,16,20)(H,21,22)
InChIKeyAUZCTGXIDSRSRS-UHFFFAOYSA-N
MW317.23 g/mol
LogP1.12
Rot. Bonds3

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

1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid (PubChem CID 29097233) has the molecular formula C11H10F3N5O3 and a molecular weight of 317.23 g/mol. Its IUPAC name is 1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid
PubChem CID29097233
Molecular FormulaC11H10F3N5O3
Molecular Weight317.23 g/mol
Exact Mass317.07
IUPAC Name1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid
SMILESCn1cc(NC(=O)c2c(C(=O)O)cnn2C)c(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5O3/c1-18-4-6(8(17-18)11(12,13)14)16-9(20)7-5(10(21)22)3-15-19(7)2/h3-4H,1-2H3,(H,16,20)(H,21,22)
InChIKeyAUZCTGXIDSRSRS-UHFFFAOYSA-N
XLogP1.12
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494189
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140844597
5-(4-methylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516638
1-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrazole-5-carboxylic acid
CID 19496083
5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 25248036
5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494328
5-[(3,5-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095721
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
5-[(5-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494263
4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide
CID 136521772
5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623680
1-methyl-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid
CID 29095638

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid (CID 29097233) is 1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid is Cn1cc(NC(=O)c2c(C(=O)O)cnn2C)c(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid?
The InChIKey is AUZCTGXIDSRSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O3/c1-18-4-6(8(17-18)11(12,13)14)16-9(20)7-5(10(21)22)3-15-19(7)2/h3-4H,1-2H3,(H,16,20)(H,21,22).
What are the key properties of 1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid?
1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid has a molecular weight of 317.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 29097233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).