3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid

C16H10F3N5O3 — CID 2811965

IUPAC3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H10F3N5O3/c17-16(18,19)11-5-8-24(23-11)10-3-1-9(2-4-10)22-14(25)12-13(15(26)27)21-7-6-20-12/h1-8H,(H,22,25)(H,26,27)
InChIKeyWFSYAAQNMJXULP-UHFFFAOYSA-N
MW377.28 g/mol
LogP2.63
Rot. Bonds4

About 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid

3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 2811965) has the molecular formula C16H10F3N5O3 and a molecular weight of 377.28 g/mol. Its IUPAC name is 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID2811965
Molecular FormulaC16H10F3N5O3
Molecular Weight377.28 g/mol
Exact Mass377.07
IUPAC Name3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H10F3N5O3/c17-16(18,19)11-5-8-24(23-11)10-3-1-9(2-4-10)22-14(25)12-13(15(26)27)21-7-6-20-12/h1-8H,(H,22,25)(H,26,27)
InChIKeyWFSYAAQNMJXULP-UHFFFAOYSA-N
XLogP2.63
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid (CID 2811965) is 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is WFSYAAQNMJXULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O3/c17-16(18,19)11-5-8-24(23-11)10-3-1-9(2-4-10)22-14(25)12-13(15(26)27)21-7-6-20-12/h1-8H,(H,22,25)(H,26,27).
What are the key properties of 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid?
3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 377.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 2811965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).